2,2-dimethyl-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanamide

• ChemBase ID: 668948
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: N1C(=O)Cc2c1ccc(NC(=O)C(CC)(C)C)c2
• Canonical SMILES: CCC(C(=O)Nc1ccc2c(c1)CC(=O)N2)(C)C
• InChI: InChI=1S/C14H18N2O2/c1-4-14(2,3)13(18)15-10-5-6-11-9(7-10)8-12(17)16-11/h5-7H,4,8H2,1-3H3,(H,15,18)(H,16,17)
• InChIKey: YHHAKYAGOKBCAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanamide
• IUPAC Traditional name: 2,2-dimethyl-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
• Synonyms: 2,2-dimethyl-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.089781
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5538657
• LogD (pH = 7.4): 2.5538647
• Log P: 2.5538657
• Molar Refractivity: 72.7513 cm^3
• Polarizability: 26.720486 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.49
• LOG S: -2.27
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3