8-benzoyl-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 864717
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ccccc1)CC2)CCOc1ccccc1
• Canonical SMILES: O=C(c1ccccc1)N1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1
• InChI: InChI=1S/C22H24N2O4/c25-20(18-7-3-1-4-8-18)23-13-11-22(12-14-23)17-24(21(26)28-22)15-16-27-19-9-5-2-6-10-19/h1-10H,11-17H2
• InChIKey: OEKLMHPZLIGLMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.540523
• LogD (pH = 7.4): 2.5405233
• Log P: 2.5405233
• Molar Refractivity: 104.7485 cm^3
• Polarizability: 40.458176 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -4.19
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5