7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 686628
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)Nc1ccccc1
• InChI: InChI=1S/C21H29N3O2/c25-19-21(12-7-14-24(19)18-10-5-2-6-11-18)13-15-23(16-21)20(26)22-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,22,26)
• InChIKey: ISJZKRGHDVDYIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.418304
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0759404
• LogD (pH = 7.4): 3.075942
• Log P: 3.0759423
• Molar Refractivity: 103.0182 cm^3
• Polarizability: 39.305878 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.04
• LOG S: -4.39
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2