N,N'-bis(4-ethoxyphenyl)propanediamide

• ChemBase ID: 229166
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: C(=O)(CC(=O)Nc1ccc(cc1)OCC)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CC(=O)Nc1ccc(cc1)OCC
• InChI: InChI=1S/C19H22N2O4/c1-3-24-16-9-5-14(6-10-16)20-18(22)13-19(23)21-15-7-11-17(12-8-15)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: IKBROMXSICOKKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis(4-ethoxyphenyl)propanediamide
• IUPAC Traditional name: N,N'-bis(4-ethoxyphenyl)propanediamide
• Synonyms: N,N'-Bis-(4-ethoxy-phenyl)-malonamide

Database IDs

• CAS Number: 4270-37-5
• MDL Number: MFCD00380578
• PubChem SID: 164285076
• PubChem CID: 2305037

CALCULATED PROPERTIES

• Acid pKa: 13.51407
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9357598
• LogD (pH = 7.4): 2.9357595
• Log P: 2.93576
• Molar Refractivity: 97.966 cm^3
• Polarizability: 36.563103 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.274

Product Information

• Purity: 95%