Molecule ID: 19588

IUPAC Name: (2-butan-2-ylphenyl) N-methylcarbamate

Description: The molecule is a carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, a herbicide, an insecticide and an environmental contaminant. It derives from a methylcarbamic acid and a 2-sec-butylphenol.

SMILES: CCC(C)c1ccccc1OC(O)=NC

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

InChI: InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 2.8