N-(2,2-diphenylethyl)-1-(methoxymethyl)cyclobutane-1-carboxamide

• ChemBase ID: 570423
• Molecular Formular: C21H25NO2
• Molecular Mass: 323.4287
• Monoisotopic Mass: 323.18852905
• SMILES: C1(C(=O)NCC(c2ccccc2)c2ccccc2)(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)NCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H25NO2/c1-24-16-21(13-8-14-21)20(23)22-15-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,22,23)
• InChIKey: VUYGYTQRANQKDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-diphenylethyl)-1-(methoxymethyl)cyclobutane-1-carboxamide
• IUPAC Traditional name: N-(2,2-diphenylethyl)-1-(methoxymethyl)cyclobutane-1-carboxamide
• Synonyms: N-(2,2-diphenylethyl)-1-(methoxymethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.833689
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8480332
• LogD (pH = 7.4): 3.8480334
• Log P: 3.8480334
• Molar Refractivity: 96.3239 cm^3
• Polarizability: 37.683666 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.3
• LOG S: -4.38
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7