N-benzyl-N-(cyclobutylmethyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 528453
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: C1(=O)NC(CC(=O)N(Cc2ccccc2)CC2CCC2)c2c1cccc2
• Canonical SMILES: O=C(N(Cc1ccccc1)CC1CCC1)CC1NC(=O)c2c1cccc2
• InChI: InChI=1S/C22H24N2O2/c25-21(13-20-18-11-4-5-12-19(18)22(26)23-20)24(15-17-9-6-10-17)14-16-7-2-1-3-8-16/h1-5,7-8,11-12,17,20H,6,9-10,13-15H2,(H,23,26)
• InChIKey: DXHJVWAWGCHICF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242749
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.163581
• LogD (pH = 7.4): 3.1635811
• Log P: 3.1635811
• Molar Refractivity: 101.8131 cm^3
• Polarizability: 39.073143 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.61
• LOG S: -3.97
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6