N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(3,4-dimethoxyphenyl)acetamide

• ChemBase ID: 348059
• Molecular Formular: C23H32N2O5
• Molecular Mass: 416.51058
• Monoisotopic Mass: 416.23112213
• SMILES: C(=O)(N1CCC2(OC(CNC(=O)Cc3cc(c(cc3)OC)OC)CC2)CC1)C1CC1
• Canonical SMILES: COc1cc(ccc1OC)CC(=O)NCC1CCC2(O1)CCN(CC2)C(=O)C1CC1
• InChI: InChI=1S/C23H32N2O5/c1-28-19-6-3-16(13-20(19)29-2)14-21(26)24-15-18-7-8-23(30-18)9-11-25(12-10-23)22(27)17-4-5-17/h3,6,13,17-18H,4-5,7-12,14-15H2,1-2H3,(H,24,26)
• InChIKey: BENQFOBUWASFMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(3,4-dimethoxyphenyl)acetamide
• IUPAC Traditional name: N-({8-cyclopropanecarbonyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(3,4-dimethoxyphenyl)acetamide
• Synonyms: N-{[8-(cyclopropylcarbonyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-(3,4-dimethoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2180195
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0882392
• LogD (pH = 7.4): 1.0882394
• Log P: 1.0882394
• Molar Refractivity: 112.2767 cm^3
• Polarizability: 43.938744 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.13
• LOG S: -4.48
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 5