Molecule ID: 182167

IUPAC Name: 1-methyl-3-(4-propan-2-ylphenyl)urea

Description: The molecule is a member of the class of phenylureas that is 1-methylurea substituted by a p-cumenyl group at position 3. It is a metabolite of the herbicide isoproturon. It has a role as a marine xenobiotic metabolite.

SMILES: CN=C(O)Nc1ccc(C(C)C)cc1

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

InChI: InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: 2.2