N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(propan-2-yloxy)acetamide

• ChemBase ID: 574450
• Molecular Formular: C15H22FNO3
• Molecular Mass: 283.3384832
• Monoisotopic Mass: 283.15837179
• SMILES: C(=O)(N(CCOc1c(F)cccc1)CC)COC(C)C
• Canonical SMILES: CCN(C(=O)COC(C)C)CCOc1ccccc1F
• InChI: InChI=1S/C15H22FNO3/c1-4-17(15(18)11-20-12(2)3)9-10-19-14-8-6-5-7-13(14)16/h5-8,12H,4,9-11H2,1-3H3
• InChIKey: JSTHJNRRSBOMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(propan-2-yloxy)acetamide
• IUPAC Traditional name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-isopropoxyacetamide
• Synonyms: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-isopropoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.792797
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1598847
• LogD (pH = 7.4): 2.1598847
• Log P: 2.1598847
• Molar Refractivity: 75.3973 cm^3
• Polarizability: 29.168999 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.19
• LOG S: -4.0
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8