3-ethyl-8-(2-phenoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 728071
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1c(Oc3ccccc3)cccc1)CC2)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1ccccc1Oc1ccccc1
• InChI: InChI=1S/C22H24N2O4/c1-2-23-16-22(28-21(23)26)12-14-24(15-13-22)20(25)18-10-6-7-11-19(18)27-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
• InChIKey: BYQVHNVCKJBQAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7535686
• LogD (pH = 7.4): 2.7535686
• Log P: 2.7535686
• Molar Refractivity: 105.1857 cm^3
• Polarizability: 40.514187 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.01
• LOG S: -4.54
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4