N-[2-(2-hydroxyethoxy)ethyl]-2-(4-propanoylphenoxy)acetamide

• ChemBase ID: 406957
• Molecular Formular: C15H21NO5
• Molecular Mass: 295.33094
• Monoisotopic Mass: 295.14197278
• SMILES: C(=O)(NCCOCCO)COc1ccc(C(=O)CC)cc1
• Canonical SMILES: OCCOCCNC(=O)COc1ccc(cc1)C(=O)CC
• InChI: InChI=1S/C15H21NO5/c1-2-14(18)12-3-5-13(6-4-12)21-11-15(19)16-7-9-20-10-8-17/h3-6,17H,2,7-11H2,1H3,(H,16,19)
• InChIKey: IYDMUPACDSTAMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-hydroxyethoxy)ethyl]-2-(4-propanoylphenoxy)acetamide
• IUPAC Traditional name: N-[2-(2-hydroxyethoxy)ethyl]-2-(4-propanoylphenoxy)acetamide
• Synonyms: N-[2-(2-hydroxyethoxy)ethyl]-2-(4-propionylphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.488094
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.23139715
• LogD (pH = 7.4): 0.23139712
• Log P: 0.23139715
• Molar Refractivity: 77.6902 cm^3
• Polarizability: 30.195312 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.83
• LOG S: -2.06
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 10