2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(1-cyclopropylethyl)acetamide

• ChemBase ID: 554427
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: n1(c2c(c(c1C)CC(=O)NC(C1CC1)C)C(=O)CCC2)Cc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1)NC(C1CC1)C
• InChI: InChI=1S/C23H28N2O2/c1-15(18-11-12-18)24-22(27)13-19-16(2)25(14-17-7-4-3-5-8-17)20-9-6-10-21(26)23(19)20/h3-5,7-8,15,18H,6,9-14H2,1-2H3,(H,24,27)
• InChIKey: KXHQRNFVWWNSIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.540366
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.524447
• LogD (pH = 7.4): 3.524447
• Log P: 3.524447
• Molar Refractivity: 108.1633 cm^3
• Polarizability: 41.21594 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: 3.43
• LOG S: -5.46
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6