9-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

• ChemBase ID: 495858
• Molecular Formular: C23H31N3O5
• Molecular Mass: 429.50934
• Monoisotopic Mass: 429.22637111
• SMILES: N1(C(=O)C2CN(C(=O)C2)CCOC)CC(=O)N(C2(C1)CCCC2)c1ccc(cc1)OC
• Canonical SMILES: COCCN1CC(CC1=O)C(=O)N1CC(=O)N(C2(C1)CCCC2)c1ccc(cc1)OC
• InChI: InChI=1S/C23H31N3O5/c1-30-12-11-24-14-17(13-20(24)27)22(29)25-15-21(28)26(23(16-25)9-3-4-10-23)18-5-7-19(31-2)8-6-18/h5-8,17H,3-4,9-16H2,1-2H3
• InChIKey: ZPHNCFHJQBFLPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
• IUPAC Traditional name: 9-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
• Synonyms: 9-{[1-(2-methoxyethyl)-5-oxo-3-pyrrolidinyl]carbonyl}-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.259939
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.34177828
• LogD (pH = 7.4): 0.3417784
• Log P: 0.3417784
• Molar Refractivity: 114.1744 cm^3
• Polarizability: 44.478817 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.52
• LOG S: -0.93
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 4