3-acetamido-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylbenzamide

• ChemBase ID: 462033
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: C(=O)(c1cc(NC(=O)C)ccc1)N(CCOc1c(OCC)cccc1)C
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)c1cccc(c1)NC(=O)C)C
• InChI: InChI=1S/C20H24N2O4/c1-4-25-18-10-5-6-11-19(18)26-13-12-22(3)20(24)16-8-7-9-17(14-16)21-15(2)23/h5-11,14H,4,12-13H2,1-3H3,(H,21,23)
• InChIKey: SVSVSXAAXVPJOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-acetamido-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylbenzamide
• IUPAC Traditional name: 3-acetamido-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylbenzamide
• Synonyms: 3-(acetylamino)-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.988334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3521347
• LogD (pH = 7.4): 2.3521347
• Log P: 2.352135
• Molar Refractivity: 101.5568 cm^3
• Polarizability: 38.200836 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -4.04
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8