N-[3-(furan-2-yl)propyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 334291
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: C1(=O)NC(c2c1cccc2)CC(=O)NCCCc1occc1
• Canonical SMILES: O=C(CC1NC(=O)c2c1cccc2)NCCCc1ccco1
• InChI: InChI=1S/C17H18N2O3/c20-16(18-9-3-5-12-6-4-10-22-12)11-15-13-7-1-2-8-14(13)17(21)19-15/h1-2,4,6-8,10,15H,3,5,9,11H2,(H,18,20)(H,19,21)
• InChIKey: PAJRGFSMXSWTHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
• Synonyms: N-[3-(2-furyl)propyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.192521
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3523281
• LogD (pH = 7.4): 1.3523282
• Log P: 1.3523282
• Molar Refractivity: 82.2743 cm^3
• Polarizability: 31.157066 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.86
• LOG S: -2.11
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 6