N-{[1-(diphenylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide

• ChemBase ID: 859615
• Molecular Formular: C21H24N2O
• Molecular Mass: 320.42806
• Monoisotopic Mass: 320.1888634
• SMILES: N1(C(c2ccccc2)c2ccccc2)CC(=CCC1)CNC(=O)C
• Canonical SMILES: CC(=O)NCC1=CCCN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H24N2O/c1-17(24)22-15-18-9-8-14-23(16-18)21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,9-13,21H,8,14-16H2,1H3,(H,22,24)
• InChIKey: HIGJXEZNOCEOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(diphenylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
• IUPAC Traditional name: N-{[1-(diphenylmethyl)-5,6-dihydro-2H-pyridin-3-yl]methyl}acetamide
• Synonyms: N-{[1-(diphenylmethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.961709
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.13743474
• LogD (pH = 7.4): 1.8876284
• Log P: 3.0177896
• Molar Refractivity: 99.1461 cm^3
• Polarizability: 38.304325 Å^3
• Polar Surface Area: 32.34 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: 2.45
• LOG S: -3.63
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5