N-ethyl-2-methoxy-N-(3-methylphenyl)benzamide

• ChemBase ID: 300861
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: C(C)N(C(=O)c1c(cccc1)OC)c1cc(ccc1)C
• Canonical SMILES: COc1ccccc1C(=O)N(c1cccc(c1)C)CC
• InChI: InChI=1S/C17H19NO2/c1-4-18(14-9-7-8-13(2)12-14)17(19)15-10-5-6-11-16(15)20-3/h5-12H,4H2,1-3H3
• InChIKey: FYICKJLKZRYUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methoxy-N-(3-methylphenyl)benzamide
• IUPAC Traditional name: N-ethyl-2-methoxy-N-(3-methylphenyl)benzamide
• Synonyms: N-Ethyl-2-methoxy-N-(3-methylphenyl)benzamide

Database IDs

• CAS Number: 199106-97-3
• MDL Number: MFCD00086720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6417549
• LogD (pH = 7.4): 3.6417549
• Log P: 3.6417549
• Molar Refractivity: 80.9604 cm^3
• Polarizability: 30.910694 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%