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

• ChemBase ID: 712493
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: n1(c2c(c(c1C)CC(=O)NC1CC1)C(=O)CCC2)Cc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1)NC1CC1
• InChI: InChI=1S/C21H24N2O2/c1-14-17(12-20(25)22-16-10-11-16)21-18(8-5-9-19(21)24)23(14)13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,22,25)
• InChIKey: GXLACFPTZIXGDM-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-cyclopropylacetamide
• IUPAC Traditional name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-cyclopropylacetamide
• Synonyms: 2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-cyclopropylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.472352
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7928593
• LogD (pH = 7.4): 2.7928593
• Log P: 2.7928593
• Molar Refractivity: 99.0137 cm^3
• Polarizability: 37.530235 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.5
• LOG S: -4.96
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5