2-(5-ethoxyfuran-2-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 673396
• Molecular Formular: C16H22N2O4
• Molecular Mass: 306.35688
• Monoisotopic Mass: 306.15795719
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2oc(cc2)OCC)CC1
• Canonical SMILES: CCOc1ccc(o1)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C16H22N2O4/c1-3-21-13-6-5-12(22-13)14(19)18-10-8-16(11-18)7-4-9-17(2)15(16)20/h5-6H,3-4,7-11H2,1-2H3
• InChIKey: BGBCLMYMUIRMRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethoxyfuran-2-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-ethoxyfuran-2-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-ethoxy-2-furoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5718214
• LogD (pH = 7.4): 0.57182163
• Log P: 0.57182163
• Molar Refractivity: 80.3987 cm^3
• Polarizability: 30.792433 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.72
• LOG S: -2.9
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 3