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

• ChemBase ID: 460217
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CCC(=O)N(CCCC)C)Cc1ccccc1
• Canonical SMILES: CCCCN(C(=O)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C
• InChI: InChI=1S/C24H30N2O2/c1-4-5-17-25(2)22(27)15-16-24(18-19-11-7-6-8-12-19)20-13-9-10-14-21(20)26(3)23(24)28/h6-14H,4-5,15-18H2,1-3H3
• InChIKey: IUMJIUPLNRENMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.146693
• LogD (pH = 7.4): 4.1466937
• Log P: 4.1466937
• Molar Refractivity: 112.8289 cm^3
• Polarizability: 43.704884 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.43
• LOG S: -5.74
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 8