N,N-dicyclohexyl-2-methoxybenzamide

• ChemBase ID: 301026
• Molecular Formular: C20H29NO2
• Molecular Mass: 315.44976
• Monoisotopic Mass: 315.21982917
• SMILES: COc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
• Canonical SMILES: COc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C20H29NO2/c1-23-19-15-9-8-14-18(19)20(22)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h8-9,14-17H,2-7,10-13H2,1H3
• InChIKey: OKDFWJZYYRZVHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dicyclohexyl-2-methoxybenzamide
• IUPAC Traditional name: N,N-dicyclohexyl-2-methoxybenzamide
• Synonyms: N,N-Dicyclohexyl-2-methoxybenzamide

Database IDs

• CAS Number: 353785-72-5
• MDL Number: MFCD01338944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7121077
• LogD (pH = 7.4): 4.712108
• Log P: 4.712108
• Molar Refractivity: 93.4214 cm^3
• Polarizability: 36.322746 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%