N-(4-ethoxyphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 238809
• Molecular Formular: C18H19NO5
• Molecular Mass: 329.34716
• Monoisotopic Mass: 329.12632271
• SMILES: C(=O)(Nc1ccc(cc1)OCC)COc1c(cc(C=O)cc1)OC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)COc1ccc(cc1OC)C=O
• InChI: InChI=1S/C18H19NO5/c1-3-23-15-7-5-14(6-8-15)19-18(21)12-24-16-9-4-13(11-20)10-17(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
• InChIKey: ZZNKXGOOXACZPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxyphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-(4-ethoxyphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
• Synonyms: N-(4-ethoxyphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD01860835
• PubChem SID: 164294719
• PubChem CID: 774742

CALCULATED PROPERTIES

• Acid pKa: 12.704727
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4818275
• LogD (pH = 7.4): 2.4818254
• Log P: 2.4818275
• Molar Refractivity: 91.1421 cm^3
• Polarizability: 34.26772 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%