N-[4-(prop-2-en-1-yloxy)phenyl]acetamide

• ChemBase ID: 86975
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: N(c1ccc(cc1)OCC=C)C(=O)C
• Canonical SMILES: C=CCOc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C11H13NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
• InChIKey: UVGQOPZEALYXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(prop-2-en-1-yloxy)phenyl]acetamide
• IUPAC Traditional name: acetanilide, 4'-allyloxy-
• Synonyms: N1-[4-(allyloxy)phenyl]acetamide

Database IDs

• CAS Number: 6622-73-7
• MDL Number: MFCD00127763
• PubChem SID: 162074091
• PubChem CID: 23103

CALCULATED PROPERTIES

• Acid pKa: 14.965318
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7845347
• LogD (pH = 7.4): 1.7845347
• Log P: 1.7845347
• Molar Refractivity: 56.5469 cm^3
• Polarizability: 21.163326 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true