N-(2,2-diphenylpropyl)oxane-2-carboxamide

• ChemBase ID: 530874
• Molecular Formular: C21H25NO2
• Molecular Mass: 323.4287
• Monoisotopic Mass: 323.18852905
• SMILES: C(CNC(=O)C1OCCCC1)(c1ccccc1)(c1ccccc1)C
• Canonical SMILES: O=C(C1CCCCO1)NCC(c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C21H25NO2/c1-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-22-20(23)19-14-8-9-15-24-19/h2-7,10-13,19H,8-9,14-16H2,1H3,(H,22,23)
• InChIKey: RZEATZNZNWEYPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-diphenylpropyl)oxane-2-carboxamide
• IUPAC Traditional name: N-(2,2-diphenylpropyl)oxane-2-carboxamide
• Synonyms: N-(2,2-diphenylpropyl)tetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.444319
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9715006
• LogD (pH = 7.4): 3.9715006
• Log P: 3.9715006
• Molar Refractivity: 106.53 cm^3
• Polarizability: 37.682762 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.31
• LOG S: -4.38
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5