3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylpropanamide

• ChemBase ID: 692296
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CCC(=O)N(C1CC1)CC)Cc1ccccc1
• Canonical SMILES: CCN(C(=O)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C1CC1
• InChI: InChI=1S/C24H28N2O2/c1-3-26(19-13-14-19)22(27)15-16-24(17-18-9-5-4-6-10-18)20-11-7-8-12-21(20)25(2)23(24)28/h4-12,19H,3,13-17H2,1-2H3
• InChIKey: CGFQMBYQOGBNOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylpropanamide
• IUPAC Traditional name: 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-cyclopropyl-N-ethylpropanamide
• Synonyms: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6451669
• LogD (pH = 7.4): 3.645167
• Log P: 3.645167
• Molar Refractivity: 110.9151 cm^3
• Polarizability: 42.9712 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.73
• LOG S: -5.13
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 7