Molecule ID: 14924483

IUPAC Name: 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid

Description: The molecule is an oxo monocarboxylic acid that is oxoacetic acid substituted by a (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of the herbicide alachlor. It has a role as a marine xenobiotic metabolite. It is an oxo monocarboxylic acid, an ether and an aromatic amide.

SMILES: CCc1cccc(CC)c1N(COC)C(=O)C(=O)O

SELFIES: [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O]

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

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.9