N-(2-methoxy-2-methylpropyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 351292
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: C1(=O)NC(c2c1cccc2)CC(=O)NCC(OC)(C)C
• Canonical SMILES: COC(CNC(=O)CC1NC(=O)c2c1cccc2)(C)C
• InChI: InChI=1S/C15H20N2O3/c1-15(2,20-3)9-16-13(18)8-12-10-6-4-5-7-11(10)14(19)17-12/h4-7,12H,8-9H2,1-3H3,(H,16,18)(H,17,19)
• InChIKey: WEEFGOHEKIXWNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-2-methylpropyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
• IUPAC Traditional name: N-(2-methoxy-2-methylpropyl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
• Synonyms: N-(2-methoxy-2-methylpropyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 75.8613 cm^3
• Polarizability: 29.076527 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.225514
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6404621
• LogD (pH = 7.4): 0.64046216
• Log P: 0.6404622

供应商提供(Chembridge)

• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 2
• Log P: 1.01
• LOG S: -3.1