N-[3-(3,4-diethoxyphenyl)propyl]-2-hydroxyacetamide

• ChemBase ID: 446070
• Molecular Formular: C15H23NO4
• Molecular Mass: 281.34742
• Monoisotopic Mass: 281.16270822
• SMILES: c1(c(ccc(c1)CCCNC(=O)CO)OCC)OCC
• Canonical SMILES: CCOc1cc(CCCNC(=O)CO)ccc1OCC
• InChI: InChI=1S/C15H23NO4/c1-3-19-13-8-7-12(10-14(13)20-4-2)6-5-9-16-15(18)11-17/h7-8,10,17H,3-6,9,11H2,1-2H3,(H,16,18)
• InChIKey: LQKMPDZYGIPWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,4-diethoxyphenyl)propyl]-2-hydroxyacetamide
• IUPAC Traditional name: N-[3-(3,4-diethoxyphenyl)propyl]-2-hydroxyacetamide
• Synonyms: N-[3-(3,4-diethoxyphenyl)propyl]-2-hydroxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.62149
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2321161
• LogD (pH = 7.4): 1.2321157
• Log P: 1.2321161
• Molar Refractivity: 77.457 cm^3
• Polarizability: 30.093834 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.95
• LOG S: -2.92
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 9