Ketcher 06051814112D 1   1.00000     0.00000     0

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    9.6635  -10.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  7  1  0     0  0
 10  8  1  0     0  0
 11  9  1  0     0  0
 12 10  1  0     0  0
 12 11  1  0     0  0
 13  7  1  0     0  0
 14 13  1  0     0  0
 15  8  1  0     0  0
 16 15  1  0     0  0
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 18 17  1  0     0  0
 19 16  1  0     0  0
 20 19  1  0     0  0
 21 18  1  0     0  0
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 21 24  2  0     0  0
 25 22  1  0     0  0
  1 25  1  0     0  0
  2  1  2  0     0  0
  6  1  1  0     0  0
  3  2  1  0     0  0
  5  6  2  0     0  0
  4  3  2  0     0  0
  4  5  1  0     0  0
M  END
> <ID>
CHEBI:140849

> <NAME>
N-benzylhexadecanamide

> <DEFINITION>
A macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase.

> <STAR>
3

> <SYNONYM>
N-benzylpalmitamide; N-(phenylmethyl)-hexadecanamide; macamide 1

> <IUPAC_NAME>
N-benzylhexadecanamide

> <FORMULA>
C23H39NO

> <MASS>
345.563

> <MONOISOTOPIC_MASS>
345.30316

> <CHARGE>
0

> <SMILES>
C1(CNC(CCCCCCCCCCCCCCC)=O)=CC=CC=C1

> <INCHI>
InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)

> <INCHIKEY>
MLGPKWUKOQAAGI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
74058-71-2

> <CHEMIDPLUS>
74058-71-2

> <NIST_CHEMISTRY_WEBBOOK>
74058-71-2

> <PUBMED_CITATION>
11754952; 16315492; 23891163; 24333960; 26453017

$$$$