N-(2,3-dihydro-1H-inden-2-yl)-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

• ChemBase ID: 439087
• Molecular Formular: C20H20N2O3
• Molecular Mass: 336.3844
• Monoisotopic Mass: 336.14739251
• SMILES: C1(=O)Nc2c(C1CC(=O)NC1Cc3c(C1)cccc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)NC(=O)C2CC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H20N2O3/c1-25-15-6-7-16-17(20(24)22-18(16)10-15)11-19(23)21-14-8-12-4-2-3-5-13(12)9-14/h2-7,10,14,17H,8-9,11H2,1H3,(H,21,23)(H,22,24)
• InChIKey: ZSBOXQUEOQAALR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-(6-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.63029
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1112154
• LogD (pH = 7.4): 2.111213
• Log P: 2.1112154
• Molar Refractivity: 95.9553 cm^3
• Polarizability: 36.271446 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.96
• LOG S: -4.29
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 3