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

• ChemBase ID: 692124
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(CC)CC)Cc1ccccc1
• Canonical SMILES: CCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)CC
• InChI: InChI=1S/C22H26N2O2/c1-4-24(5-2)20(25)16-22(15-17-11-7-6-8-12-17)18-13-9-10-14-19(18)23(3)21(22)26/h6-14H,4-5,15-16H2,1-3H3
• InChIKey: QTPUDMQGUAGCQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0918417
• LogD (pH = 7.4): 3.0918417
• Log P: 3.0918417
• Molar Refractivity: 103.8515 cm^3
• Polarizability: 40.016132 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.64
• LOG S: -4.86
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6