7-(2-ethoxypyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 759861
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: C(=O)(N1CC2(OC(=O)NC2)CCC1)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCCC2(C1)CNC(=O)O2
• InChI: InChI=1S/C15H19N3O4/c1-2-21-12-11(5-3-7-16-12)13(19)18-8-4-6-15(10-18)9-17-14(20)22-15/h3,5,7H,2,4,6,8-10H2,1H3,(H,17,20)
• InChIKey: HEMRPWFFEBGVCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-ethoxypyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-(2-ethoxypyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[(2-ethoxy-3-pyridinyl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.360695
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7060631
• LogD (pH = 7.4): 0.70611733
• Log P: 0.7061223
• Molar Refractivity: 78.4472 cm^3
• Polarizability: 30.053688 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.9
• LOG S: -2.19
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 3