1-(benzyloxy)-8-(2-phenoxyacetyl)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 569049
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: N1(C2(CCN(C(=O)COc3ccccc3)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)COc1ccccc1
• InChI: InChI=1S/C23H26N2O4/c26-21-11-12-23(25(21)29-17-19-7-3-1-4-8-19)13-15-24(16-14-23)22(27)18-28-20-9-5-2-6-10-20/h1-10H,11-18H2
• InChIKey: YUQBNPBSUVKHSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-(2-phenoxyacetyl)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-(2-phenoxyacetyl)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-(phenoxyacetyl)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.585426
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2140155
• LogD (pH = 7.4): 2.2140155
• Log P: 2.2140155
• Molar Refractivity: 108.6914 cm^3
• Polarizability: 42.5078 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: 2.33
• LOG S: -4.07
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6