2-(acetamidomethyl)-N-(4-ethoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 322643
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C(=O)(N1CCC2(OC(CNC(=O)C)CC2)CC1)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)N1CCC2(CC1)CCC(O2)CNC(=O)C
• InChI: InChI=1S/C20H29N3O4/c1-3-26-17-6-4-16(5-7-17)22-19(25)23-12-10-20(11-13-23)9-8-18(27-20)14-21-15(2)24/h4-7,18H,3,8-14H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: MVZQKLDUDNXFDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(acetamidomethyl)-N-(4-ethoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 2-(acetamidomethyl)-N-(4-ethoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• Synonyms: 2-[(acetylamino)methyl]-N-(4-ethoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0246725
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.89628154
• LogD (pH = 7.4): 0.89628154
• Log P: 0.8962816
• Molar Refractivity: 103.5728 cm^3
• Polarizability: 39.587826 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.53
• LOG S: -2.39
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5