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

• ChemBase ID: 530886
• Molecular Formular: C13H16N2O2
• Molecular Mass: 232.27834
• Monoisotopic Mass: 232.12117776
• SMILES: N1C(=O)Cc2c1ccc(NC(=O)C(C)(C)C)c2
• Canonical SMILES: O=C1Nc2c(C1)cc(cc2)NC(=O)C(C)(C)C
• InChI: InChI=1S/C13H16N2O2/c1-13(2,3)12(17)14-9-4-5-10-8(6-9)7-11(16)15-10/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
• InChIKey: PMYUSYBOZKELAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.091433
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.109297
• LogD (pH = 7.4): 2.109296
• Log P: 2.109297
• Molar Refractivity: 68.1503 cm^3
• Polarizability: 24.881409 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 0.96
• LOG S: -1.72
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2