N-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 514402
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)C)CC1)Nc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)N1CCC2(CC1)CCC(=O)N(C2)C
• InChI: InChI=1S/C19H27N3O4/c1-21-13-19(7-6-17(21)23)8-10-22(11-9-19)18(24)20-14-4-5-15(25-2)16(12-14)26-3/h4-5,12H,6-11,13H2,1-3H3,(H,20,24)
• InChIKey: ZJUFZGULJMDFGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.580458
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.89396346
• LogD (pH = 7.4): 0.89396334
• Log P: 0.8939636
• Molar Refractivity: 99.4796 cm^3
• Polarizability: 37.73861 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.27
• LOG S: -2.92
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3