N-(3-chloro-4-methoxyphenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 568033
• Molecular Formular: C16H20ClN3O3
• Molecular Mass: 337.8013
• Monoisotopic Mass: 337.1193192
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)Nc1cc(c(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1Cl)NC(=O)N1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C16H20ClN3O3/c1-23-13-3-2-11(8-12(13)17)19-15(22)20-6-4-16(5-7-20)9-14(21)18-10-16/h2-3,8H,4-7,9-10H2,1H3,(H,18,21)(H,19,22)
• InChIKey: VYUVKCHMIARMBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloro-4-methoxyphenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(3-chloro-4-methoxyphenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: N-(3-chloro-4-methoxyphenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.549773
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.98743474
• LogD (pH = 7.4): 0.9874345
• Log P: 0.9874348
• Molar Refractivity: 88.3235 cm^3
• Polarizability: 33.463985 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.33
• LOG S: -3.25
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2