2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methylacetamide

• ChemBase ID: 314571
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)NC)Cc1ccccc1
• Canonical SMILES: CNC(=O)CC1(Cc2ccccc2)c2ccccc2N(C1=O)C
• InChI: InChI=1S/C19H20N2O2/c1-20-17(22)13-19(12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)21(2)18(19)23/h3-11H,12-13H2,1-2H3,(H,20,22)
• InChIKey: OREYAEFQSCTOKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.829409
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1545498
• LogD (pH = 7.4): 2.1545498
• Log P: 2.1545498
• Molar Refractivity: 89.4576 cm^3
• Polarizability: 34.48509 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.27
• LOG S: -3.39
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4