Molecule ID: 20142310

IUPAC Name: 2-(octanoylamino)benzoate

Description: The molecule is an amidobenzoate that is the conjugate base of N-octanoylanthranilic acid, arising from the deprotonation of the carboxy group. It derives from an anthranilate and an octanoic acid. It is a conjugate base of a N-octanoylanthranilic acid.

SMILES: CCCCCCCC([O-])=Nc1ccccc1C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][Branch1][C][O-1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 5.5