N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

• ChemBase ID: 341093
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: C1(=O)NC(c2c1cccc2)CC(=O)NCCC1=CCCCC1
• Canonical SMILES: O=C(CC1NC(=O)c2c1cccc2)NCCC1=CCCCC1
• InChI: InChI=1S/C18H22N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-14-8-4-5-9-15(14)18(22)20-16/h4-6,8-9,16H,1-3,7,10-12H2,(H,19,21)(H,20,22)
• InChIKey: LXLSPAOIPPMANC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
• Synonyms: N-(2-cyclohex-1-en-1-ylethyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.239232
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0656047
• LogD (pH = 7.4): 2.0656047
• Log P: 2.0656047
• Molar Refractivity: 87.0338 cm^3
• Polarizability: 32.92024 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.7
• LOG S: -3.68
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5