N-(4-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 539749
• Molecular Formular: C20H20N2O3
• Molecular Mass: 336.3844
• Monoisotopic Mass: 336.14739251
• SMILES: C1(C(=O)Nc2c1c(ccc2)C)NC(=O)c1c(OCC(=C)C)cccc1
• Canonical SMILES: CC(=C)COc1ccccc1C(=O)NC1C(=O)Nc2c1c(C)ccc2
• InChI: InChI=1S/C20H20N2O3/c1-12(2)11-25-16-10-5-4-8-14(16)19(23)22-18-17-13(3)7-6-9-15(17)21-20(18)24/h4-10,18H,1,11H2,2-3H3,(H,21,24)(H,22,23)
• InChIKey: BIHLBPAIPWWBIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC Traditional name: N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-2-[(2-methylprop-2-en-1-yl)oxy]benzamide
• Synonyms: N-(4-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.649138
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2533922
• LogD (pH = 7.4): 3.2533898
• Log P: 3.2533922
• Molar Refractivity: 97.644 cm^3
• Polarizability: 36.465652 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.39
• LOG S: -4.55
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5