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

• ChemBase ID: 483285
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)NCCCCC)Cc1ccccc1
• Canonical SMILES: CCCCCNC(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C23H28N2O2/c1-3-4-10-15-24-21(26)17-23(16-18-11-6-5-7-12-18)19-13-8-9-14-20(19)25(2)22(23)27/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H,24,26)
• InChIKey: PZKBYDXEQSNARJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.873975
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9230175
• LogD (pH = 7.4): 3.9230175
• Log P: 3.9230175
• Molar Refractivity: 107.9322 cm^3
• Polarizability: 41.860363 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.4
• LOG S: -5.62
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8