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

• ChemBase ID: 510736
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: n1(c2c(c(c1C)CC(=O)NC1C(=O)NCC1)C(=O)CCC2)Cc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1)NC1CCNC1=O
• InChI: InChI=1S/C22H25N3O3/c1-14-16(12-20(27)24-17-10-11-23-22(17)28)21-18(8-5-9-19(21)26)25(14)13-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-13H2,1H3,(H,23,28)(H,24,27)
• InChIKey: MOWMJNGFSXFGCI-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-(2-oxopyrrolidin-3-yl)acetamide
• IUPAC Traditional name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)acetamide
• Synonyms: 2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.56221
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3224025
• LogD (pH = 7.4): 1.3223999
• Log P: 1.3224025
• Molar Refractivity: 107.2477 cm^3
• Polarizability: 40.588364 Å^3
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.47
• LOG S: -2.37
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 5