8-(2-ethoxyacetyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 537836
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C1(=O)N(CC(c2ccccc2)C)CC2(O1)CCN(C(=O)COCC)CC2
• Canonical SMILES: CCOCC(=O)N1CCC2(CC1)OC(=O)N(C2)CC(c1ccccc1)C
• InChI: InChI=1S/C20H28N2O4/c1-3-25-14-18(23)21-11-9-20(10-12-21)15-22(19(24)26-20)13-16(2)17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3
• InChIKey: SNLLQFMPUUADJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-ethoxyacetyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-ethoxyacetyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(ethoxyacetyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.82258
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6030928
• LogD (pH = 7.4): 1.6030928
• Log P: 1.6030928
• Molar Refractivity: 98.567 cm^3
• Polarizability: 38.468746 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -4.29
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6