Molecule ID: 734306

IUPAC Name: (2-acetamido-4-methylphenyl) acetate

Description: The molecule is an acetate ester that is phenyl acetate substituted by an acetylamino group at position 2 and a methyl group at position 4. It has a role as a human urinary metabolite. It is a member of acetamides, a member of toluenes and a member of phenyl acetates.

SMILES: CC(=O)Oc1ccc(C)cc1N=C(C)O

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

InChI: InChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 55.4 Ų
- LogP: 1.2