3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(cyclopent-3-en-1-yl)propanamide

• ChemBase ID: 745867
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CCC(=O)NC1CC=CC1)Cc1ccccc1
• Canonical SMILES: O=C(NC1CC=CC1)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C24H26N2O2/c1-26-21-14-8-7-13-20(21)24(23(26)28,17-18-9-3-2-4-10-18)16-15-22(27)25-19-11-5-6-12-19/h2-10,13-14,19H,11-12,15-17H2,1H3,(H,25,27)
• InChIKey: ANXSSGMFOPVEOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(cyclopent-3-en-1-yl)propanamide
• IUPAC Traditional name: 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(cyclopent-3-en-1-yl)propanamide
• Synonyms: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopent-3-en-1-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.674611
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5918984
• LogD (pH = 7.4): 3.5918987
• Log P: 3.5918987
• Molar Refractivity: 111.5884 cm^3
• Polarizability: 42.732697 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.62
• LOG S: -5.02
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6