N-(4-propoxyphenyl)acetamide

• ChemBase ID: 269336
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(Nc1ccc(cc1)OCCC)C
• Canonical SMILES: CCCOc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C11H15NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h4-7H,3,8H2,1-2H3,(H,12,13)
• InChIKey: WDRXFPOGKSGHFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-propoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-propoxyphenyl)acetamide
• Synonyms: N-(4-propoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD00460750
• PubChem SID: 164325246
• PubChem CID: 88510

CALCULATED PROPERTIES

• Acid pKa: 14.978088
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9326153
• LogD (pH = 7.4): 1.9326153
• Log P: 1.9326153
• Molar Refractivity: 56.6568 cm^3
• Polarizability: 21.404842 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.294

Product Information

• Purity: 95%