Molecule ID: 179957

IUPAC Name: 4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one

Description: The molecule is a member of the class of morpholines that is morpholin-3-one substituted by a 2-ethyl-6-methylphenyl group at position 4 and a methyl group at position 5. It is a metabolite of metolachlor. It has a role as a marine xenobiotic metabolite. It is a member of morpholines and a delta-lactam.

SMILES: CCc1cccc(C)c1N1C(=O)COCC1C

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

InChI: InChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-11(3)8-17-9-13(15)16/h5-7,11H,4,8-9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.5