11674147
  -OEChem-04292400302D

 52 52  0     1  0  0  0  0  0999 V2000
    7.7331    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432   -4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891   -4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9091   -5.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    5.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    6.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 49  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 45  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
 19 47  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11674147

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADQTBmAYyBoLABgCIAiFSEACCCAAgIAAIiIEOjIgNJjKGsRuEcCtk1hGLuAe42BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-dec-6-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-decenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-dec-6-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-8-methyl-N-vanillyl-dec-6-enamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+

> <PUBCHEM_IUPAC_INCHIKEY>
MLJGZARGNROKAC-VQHVLOKHSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
319.21474379

> <PUBCHEM_MOLECULAR_FORMULA>
C19H29NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
319.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
319.21474379

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
6  13  3

$$$$
