N-{4-[(1R,3S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}cyclobutanecarboxamide

• ChemBase ID: 624193
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: N1(C(=O)c2ccc(NC(=O)C3CCC3)cc2)[C@H]2C[C@@H](C[C@@H]1CC2)O
• Canonical SMILES: O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(cc1)NC(=O)C1CCC1
• InChI: InChI=1S/C19H24N2O3/c22-17-10-15-8-9-16(11-17)21(15)19(24)13-4-6-14(7-5-13)20-18(23)12-2-1-3-12/h4-7,12,15-17,22H,1-3,8-11H2,(H,20,23)/t15-,16+,17+
• InChIKey: RQRPMXGEISOVPD-FVQHAEBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(1R,3S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}cyclobutanecarboxamide
• IUPAC Traditional name: N-{4-[(1R,3S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}cyclobutanecarboxamide
• Synonyms: N-(4-{[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]carbonyl}phenyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.446079
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5767045
• LogD (pH = 7.4): 1.5767043
• Log P: 1.5767047
• Molar Refractivity: 92.3987 cm^3
• Polarizability: 34.900692 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.43
• LOG S: -1.96
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3