N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-phenoxybenzamide

• ChemBase ID: 617878
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(c1c(Oc2ccccc2)cccc1)N[C@@H]1[C@H](NC2CCCCC2)CC1
• Canonical SMILES: O=C(c1ccccc1Oc1ccccc1)N[C@H]1CC[C@H]1NC1CCCCC1
• InChI: InChI=1S/C23H28N2O2/c26-23(25-21-16-15-20(21)24-17-9-3-1-4-10-17)19-13-7-8-14-22(19)27-18-11-5-2-6-12-18/h2,5-8,11-14,17,20-21,24H,1,3-4,9-10,15-16H2,(H,25,26)/t20-,21+/m1/s1
• InChIKey: PVFJBRXCIMZGLW-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-phenoxybenzamide
• IUPAC Traditional name: N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-phenoxybenzamide
• Synonyms: N-[(1S*,2R*)-2-(cyclohexylamino)cyclobutyl]-2-phenoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.05336
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2922883
• LogD (pH = 7.4): 2.0396423
• Log P: 4.508048
• Molar Refractivity: 106.8939 cm^3
• Polarizability: 41.985703 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.38
• LOG S: -5.6
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6