N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-2-(propan-2-yloxy)acetamide

• ChemBase ID: 490877
• Molecular Formular: C16H25NO4
• Molecular Mass: 295.374
• Monoisotopic Mass: 295.17835829
• SMILES: C(=O)(N(CCOc1ccc(cc1)OC)CC)COC(C)C
• Canonical SMILES: CCN(C(=O)COC(C)C)CCOc1ccc(cc1)OC
• InChI: InChI=1S/C16H25NO4/c1-5-17(16(18)12-21-13(2)3)10-11-20-15-8-6-14(19-4)7-9-15/h6-9,13H,5,10-12H2,1-4H3
• InChIKey: KPCISXFIMSXDNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-2-(propan-2-yloxy)acetamide
• IUPAC Traditional name: N-ethyl-2-isopropoxy-N-[2-(4-methoxyphenoxy)ethyl]acetamide
• Synonyms: N-ethyl-2-isopropoxy-N-[2-(4-methoxyphenoxy)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.792797
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8595115
• LogD (pH = 7.4): 1.8595115
• Log P: 1.8595115
• Molar Refractivity: 81.6441 cm^3
• Polarizability: 32.003147 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.2
• LOG S: -4.09
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9