N-[(2,6-dimethoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 530393
• Molecular Formular: C19H20N2O4
• Molecular Mass: 340.3731
• Monoisotopic Mass: 340.14230713
• SMILES: C1(=O)NC(c2c1cccc2)CC(=O)NCc1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1CNC(=O)CC1NC(=O)c2c1cccc2)OC
• InChI: InChI=1S/C19H20N2O4/c1-24-16-8-5-9-17(25-2)14(16)11-20-18(22)10-15-12-6-3-4-7-13(12)19(23)21-15/h3-9,15H,10-11H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: GBHLOJMBPIUNQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,6-dimethoxyphenyl)methyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
• IUPAC Traditional name: N-[(2,6-dimethoxyphenyl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
• Synonyms: N-(2,6-dimethoxybenzyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.180309
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3994166
• LogD (pH = 7.4): 1.3994166
• Log P: 1.3994167
• Molar Refractivity: 93.2998 cm^3
• Polarizability: 35.642555 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.93
• LOG S: -3.33
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6