2,5-dimethoxy-N-{1-oxa-8-azaspiro[4.5]decan-3-yl}benzamide

• ChemBase ID: 687051
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: c1(C(=O)NC2CC3(OC2)CCNCC3)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1C(=O)NC1COC2(C1)CCNCC2)OC
• InChI: InChI=1S/C17H24N2O4/c1-21-13-3-4-15(22-2)14(9-13)16(20)19-12-10-17(23-11-12)5-7-18-8-6-17/h3-4,9,12,18H,5-8,10-11H2,1-2H3,(H,19,20)
• InChIKey: FHGUHTQPZZAOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxy-N-{1-oxa-8-azaspiro[4.5]decan-3-yl}benzamide
• IUPAC Traditional name: 2,5-dimethoxy-N-{1-oxa-8-azaspiro[4.5]decan-3-yl}benzamide
• Synonyms: 2,5-dimethoxy-N-1-oxa-8-azaspiro[4.5]dec-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.819431
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.0182822
• LogD (pH = 7.4): -2.3196688
• Log P: 0.2009729
• Molar Refractivity: 86.6156 cm^3
• Polarizability: 33.712975 Å^3
• Polar Surface Area: 68.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.35
• LOG S: -3.15
• Polar Surface Area: 68.82 Å^2
• Rotatable Bonds: 4