N,N-dicyclohexyl-3-methylbenzamide

• ChemBase ID: 300875
• Molecular Formular: C20H29NO
• Molecular Mass: 299.45036
• Monoisotopic Mass: 299.22491455
• SMILES: Cc1cccc(c1)C(=O)N(C1CCCCC1)C1CCCCC1
• Canonical SMILES: Cc1cccc(c1)C(=O)N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C20H29NO/c1-16-9-8-10-17(15-16)20(22)21(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15,18-19H,2-7,11-14H2,1H3
• InChIKey: YXPMPPOIMVVDFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dicyclohexyl-3-methylbenzamide
• IUPAC Traditional name: N,N-dicyclohexyl-3-methylbenzamide
• Synonyms: N,N-Dicyclohexyl-3-methylbenzamide

Database IDs

• CAS Number: 349090-11-5
• MDL Number: MFCD00594221

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3832
• LogD (pH = 7.4): 5.3832006
• Log P: 5.3832006
• Molar Refractivity: 91.9994 cm^3
• Polarizability: 35.583885 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

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%