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

• ChemBase ID: 741300
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C(=O)(N1CC2(CNCC2)CCC1)Nc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C17H25N3O3/c1-22-14-5-4-13(10-15(14)23-2)19-16(21)20-9-3-6-17(12-20)7-8-18-11-17/h4-5,10,18H,3,6-9,11-12H2,1-2H3,(H,19,21)
• InChIKey: SADSQHQTLKLWFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.578105
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0656352
• LogD (pH = 7.4): -1.9189075
• Log P: 1.1741546
• Molar Refractivity: 89.8044 cm^3
• Polarizability: 34.347965 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.43
• LOG S: -2.75
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3