2-(3-methoxyphenyl)-N,N-dimethylacetamide

• ChemBase ID: 173117
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1ccc(cc1OC)CC(=O)N(C)C
• Canonical SMILES: COc1cccc(c1)CC(=O)N(C)C
• InChI: InChI=1S/C11H15NO2/c1-12(2)11(13)8-9-5-4-6-10(7-9)14-3/h4-7H,8H2,1-3H3
• InChIKey: QKTUKDQUEKGUKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(3-methoxyphenyl)-N,N-dimethylacetamide
• Synonyms: m-Methoxy N,N-Dimethylphenylacetamide; 2-(3-Methoxy-phenyl)-N,N-dimethylacetamide

Database IDs

• CAS Number: 90526-08-2
• PubChem SID: 164229027
• PubChem CID: 12384263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0937324
• LogD (pH = 7.4): 1.0937324
• Log P: 1.0937324
• Molar Refractivity: 55.4444 cm^3
• Polarizability: 21.41506 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Hexane; Toluene
• Apperance: Yellowish Liquid
• Boiling Point: 123°C/0.3 Torr