4-cyclobutaneamido-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

• ChemBase ID: 453389
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: C(=O)(Nc1ccc(C(=O)NCCC2=CCCCC2)cc1)C1CCC1
• Canonical SMILES: O=C(c1ccc(cc1)NC(=O)C1CCC1)NCCC1=CCCCC1
• InChI: InChI=1S/C20H26N2O2/c23-19(21-14-13-15-5-2-1-3-6-15)17-9-11-18(12-10-17)22-20(24)16-7-4-8-16/h5,9-12,16H,1-4,6-8,13-14H2,(H,21,23)(H,22,24)
• InChIKey: QZYAFLXQZAJHFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutaneamido-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-cyclobutaneamido-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
• Synonyms: 4-[(cyclobutylcarbonyl)amino]-N-(2-cyclohex-1-en-1-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.449767
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.584956
• LogD (pH = 7.4): 3.5849557
• Log P: 3.5849562
• Molar Refractivity: 98.1693 cm^3
• Polarizability: 36.59543 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.78
• LOG S: -4.81
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6