Molecule ID: 2998

IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide

Description: The molecule is a capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays. It has a role as a lachrymator. It is a capsaicinoid and a member of phenols.

SMILES: CCCCCCCCC(O)=NCc1ccc(O)c(OC)c1

SELFIES: [C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 4.2