2-methoxy-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-2-phenylethan-1-one

• ChemBase ID: 571651
• Molecular Formular: C17H23NO3
• Molecular Mass: 289.36942
• Monoisotopic Mass: 289.1677936
• SMILES: C(=O)(N1CCC2(OCCC2)CC1)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N1CCC2(CC1)CCCO2)c1ccccc1
• InChI: InChI=1S/C17H23NO3/c1-20-15(14-6-3-2-4-7-14)16(19)18-11-9-17(10-12-18)8-5-13-21-17/h2-4,6-7,15H,5,8-13H2,1H3
• InChIKey: LRNKXYQHBKMSDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-2-phenylethan-1-one
• IUPAC Traditional name: 2-methoxy-1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-2-phenylethanone
• Synonyms: 8-[methoxy(phenyl)acetyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4701239
• LogD (pH = 7.4): 1.4701239
• Log P: 1.4701239
• Molar Refractivity: 80.9767 cm^3
• Polarizability: 31.714949 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.36
• LOG S: -3.33
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3