N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 340590
• Molecular Formular: C20H28ClN3O2
• Molecular Mass: 377.90822
• Monoisotopic Mass: 377.18700483
• SMILES: C12(C(=O)N(CC(C)(C)C)CCC2)CN(C(=O)Nc2c(Cl)cccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC(C)(C)C)Nc1ccccc1Cl
• InChI: InChI=1S/C20H28ClN3O2/c1-19(2,3)13-23-11-6-9-20(17(23)25)10-12-24(14-20)18(26)22-16-8-5-4-7-15(16)21/h4-5,7-8H,6,9-14H2,1-3H3,(H,22,26)
• InChIKey: ZPWSGIUYUOWIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.065173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.503018
• LogD (pH = 7.4): 3.5030115
• Log P: 3.5030205
• Molar Refractivity: 104.9511 cm^3
• Polarizability: 40.08496 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.24
• LOG S: -4.72
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3