N-cyclobutyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

• ChemBase ID: 861922
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: c12c(c(n(c1CCCC2=O)CCc1ccccc1)C)CC(=O)NC1CCC1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)CCc1ccccc1)NC1CCC1
• InChI: InChI=1S/C23H28N2O2/c1-16-19(15-22(27)24-18-9-5-10-18)23-20(11-6-12-21(23)26)25(16)14-13-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,24,27)
• InChIKey: AZAJRARNIFDYGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-cyclobutyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
• Synonyms: N-cyclobutyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.49708
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5260892
• LogD (pH = 7.4): 3.5260892
• Log P: 3.5260892
• Molar Refractivity: 108.3697 cm^3
• Polarizability: 41.138206 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -5.96
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6