2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-phenylbenzamide

• ChemBase ID: 772996
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: C(=O)(c1c(OC23CN(CC2)CCC3)cccc1)Nc1ccccc1
• Canonical SMILES: O=C(c1ccccc1OC12CCCN(C2)CC1)Nc1ccccc1
• InChI: InChI=1S/C20H22N2O2/c23-19(21-16-7-2-1-3-8-16)17-9-4-5-10-18(17)24-20-11-6-13-22(15-20)14-12-20/h1-5,7-10H,6,11-15H2,(H,21,23)
• InChIKey: LLOOVJAFGGBJMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-phenylbenzamide
• IUPAC Traditional name: 2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-phenylbenzamide
• Synonyms: 2-(1-azabicyclo[3.2.1]oct-5-yloxy)-N-phenylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.446803
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17139909
• LogD (pH = 7.4): 1.1425277
• Log P: 3.203872
• Molar Refractivity: 96.071 cm^3
• Polarizability: 36.579914 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.69
• LOG S: -3.85
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4