N-[4-(4-acetamidophenoxy)phenyl]acetamide

• ChemBase ID: 137820
• Molecular Formular: C16H16N2O3
• Molecular Mass: 284.30984
• Monoisotopic Mass: 284.11609238
• SMILES: CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C16H16N2O3/c1-11(19)17-13-3-7-15(8-4-13)21-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
• InChIKey: BUGCHAIWUSBYIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(4-acetamidophenoxy)phenyl]acetamide
• IUPAC Traditional name: N-[4-(4-acetamidophenoxy)phenyl]acetamide
• Synonyms: N,N′-(Oxydi-4,1-phenylene)bisacetamide; N,N′-(氧代二-4,1-亚苯基)二乙酰胺

Database IDs

• CAS Number: 3070-86-8
• MDL Number: MFCD00050458
• PubChem SID: 24865769; 162232081
• PubChem CID: 95125

CALCULATED PROPERTIES

• Acid pKa: 14.516627
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9489537
• LogD (pH = 7.4): 1.9489537
• Log P: 1.9489537
• Molar Refractivity: 82.0248 cm^3
• Polarizability: 30.412718 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230-231 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: (CH3CONHC6H4)2O