N-cyclohexyl-2-methoxy-N-methylbenzamide

• ChemBase ID: 299362
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: CN(C1CCCCC1)C(=O)c1ccccc1OC
• Canonical SMILES: COc1ccccc1C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C15H21NO2/c1-16(12-8-4-3-5-9-12)15(17)13-10-6-7-11-14(13)18-2/h6-7,10-12H,3-5,8-9H2,1-2H3
• InChIKey: XOFREWHXNLECSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-methoxy-N-methylbenzamide
• IUPAC Traditional name: N-cyclohexyl-2-methoxy-N-methylbenzamide
• Synonyms: N-Cyclohexyl-2-methoxy-N-methylbenzamide

Database IDs

• CAS Number: 947935-14-0
• MDL Number: MFCD09204308
• PubChem SID: 180684893
• PubChem CID: 73996251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9128375
• LogD (pH = 7.4): 2.9128375
• Log P: 2.9128375
• Molar Refractivity: 72.4072 cm^3
• Polarizability: 27.839058 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• 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%