Molecule ID: 6914821

IUPAC Name: propan-2-yl N-[3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate

Description: The molecule is a carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate. It is a carbamate ester, a valine derivative and an amino acid amide.

SMILES: Cc1ccc(C(C)N=C(O)C(N=C(O)OC(C)C)C(C)C)cc1

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

InChI: InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)

Molecular Properties:
- Polar Surface Area: 67.4 Ų
- LogP: 3.7