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

• ChemBase ID: 655434
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CC)CC1)Nc1cc(c(cc1)OC)OC
• Canonical SMILES: CCN1CC2(CCN(CC2)C(=O)Nc2ccc(c(c2)OC)OC)CCC1=O
• InChI: InChI=1S/C20H29N3O4/c1-4-22-14-20(8-7-18(22)24)9-11-23(12-10-20)19(25)21-15-5-6-16(26-2)17(13-15)27-3/h5-6,13H,4,7-12,14H2,1-3H3,(H,21,25)
• InChIKey: DYFSBGQLYZOPBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(3,4-dimethoxyphenyl)-2-ethyl-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): 1.2507714
• LogD (pH = 7.4): 1.2507713
• Log P: 1.2507715
• Molar Refractivity: 104.2282 cm^3
• Polarizability: 39.5737 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -3.48
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4