Molecule ID: 15842091

IUPAC Name: 2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid

Description: The molecule is a monocarboxylic acid that is oxoacetic acid substituted by a (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It is a metabolite of acetochlor. It has a role as a marine xenobiotic metabolite. It is an aromatic amide, an ether and a monocarboxylic acid.

SMILES: CCOCN(C(=O)C(=O)O)c1c(C)cccc1CC

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

InChI: InChI=1S/C14H19NO4/c1-4-11-8-6-7-10(3)12(11)15(9-19-5-2)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.7