N'-(2-ethoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanediamide

• ChemBase ID: 700984
• Molecular Formular: C15H22N2O5
• Molecular Mass: 310.34558
• Monoisotopic Mass: 310.15287181
• SMILES: C(=O)(Nc1c(OCC)cccc1)CC(=O)NCCOCCO
• Canonical SMILES: OCCOCCNC(=O)CC(=O)Nc1ccccc1OCC
• InChI: InChI=1S/C15H22N2O5/c1-2-22-13-6-4-3-5-12(13)17-15(20)11-14(19)16-7-9-21-10-8-18/h3-6,18H,2,7-11H2,1H3,(H,16,19)(H,17,20)
• InChIKey: CTQCBRLOPGPNFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-ethoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanediamide
• IUPAC Traditional name: N'-(2-ethoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanediamide
• Synonyms: N-(2-ethoxyphenyl)-N'-[2-(2-hydroxyethoxy)ethyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.163751
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.01802284
• LogD (pH = 7.4): -0.01802989
• Log P: -0.01802275
• Molar Refractivity: 82.5316 cm^3
• Polarizability: 31.360714 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.04
• LOG S: -2.74
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 10