7-(2-ethoxypyridine-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 728707
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: C1(=O)N(CC2(O1)CN(C(=O)c1c(nccc1)OCC)CC2)C
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C15H19N3O4/c1-3-21-12-11(5-4-7-16-12)13(19)18-8-6-15(10-18)9-17(2)14(20)22-15/h4-5,7H,3,6,8-10H2,1-2H3
• InChIKey: SMJJZEFPAWXLOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-ethoxypyridine-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 7-(2-ethoxypyridine-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-[(2-ethoxy-3-pyridinyl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 0.27
• LOG S: -2.97

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41237652
• LogD (pH = 7.4): 0.41243494
• Log P: 0.41243565
• Molar Refractivity: 78.6993 cm^3
• Polarizability: 30.053688 Å^3
• Polar Surface Area: 71.97 Å^2