N-(3,4-dimethoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 827738
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)Nc2cc(c(cc2)OC)OC)CC1
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C18H25N3O4/c1-20-9-4-7-18(16(20)22)8-10-21(12-18)17(23)19-13-5-6-14(24-2)15(11-13)25-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,23)
• InChIKey: QHOBASPCLODILA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(3,4-dimethoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.573889
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.96132904
• LogD (pH = 7.4): 0.961329
• Log P: 0.9613293
• Molar Refractivity: 94.9304 cm^3
• Polarizability: 35.904552 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: 1.14
• LOG S: -2.71
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3