4-cyclobutaneamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide

• ChemBase ID: 432500
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: C(=O)(Nc1ccc(C(=O)NCc2cc(cc(c2)OC)OC)cc1)C1CCC1
• Canonical SMILES: COc1cc(CNC(=O)c2ccc(cc2)NC(=O)C2CCC2)cc(c1)OC
• InChI: InChI=1S/C21H24N2O4/c1-26-18-10-14(11-19(12-18)27-2)13-22-20(24)16-6-8-17(9-7-16)23-21(25)15-4-3-5-15/h6-12,15H,3-5,13H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: PDIOGOFMEOAQPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutaneamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
• IUPAC Traditional name: 4-cyclobutaneamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
• Synonyms: 4-[(cyclobutylcarbonyl)amino]-N-(3,5-dimethoxybenzyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.44591
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.918768
• LogD (pH = 7.4): 2.9187677
• Log P: 2.918768
• Molar Refractivity: 104.4353 cm^3
• Polarizability: 39.30943 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.06
• LOG S: -4.5
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7