71765532
  -OEChem-04282423152D

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M  END
> <PUBCHEM_COMPOUND_CID>
71765532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
372

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADATBmAYyBoLABACIAiFSEACCCAAgIAAIiIEODIgMJjKEsRuEMChk1hGIqAe4yJCOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3-methoxyphenyl)methyl]octadecanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3-methoxyphenyl)methyl]octadecanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3-methoxyphenyl)methyl]octadecanamide

> <PUBCHEM_IUPAC_NAME>
N-[(3-methoxyphenyl)methyl]octadecanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3-methoxyphenyl)methyl]octadecanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-m-anisylstearamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h18-20,22H,3-17,21,23H2,1-2H3,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
SUYDJGAZOQXONR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
9.4

> <PUBCHEM_EXACT_MASS>
403.345029678

> <PUBCHEM_MOLECULAR_FORMULA>
C26H45NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
403.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC(=O)NCC1=CC(=CC=C1)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC(=O)NCC1=CC(=CC=C1)OC

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.345029678

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8

$$$$
