2-methoxy-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 300399
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: CC(C)N(C(C)C)C(=O)c1ccccc1OC
• Canonical SMILES: COc1ccccc1C(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C14H21NO2/c1-10(2)15(11(3)4)14(16)12-8-6-7-9-13(12)17-5/h6-11H,1-5H3
• InChIKey: JIRXADQFESAWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: N,N-diisopropyl-2-methoxybenzamide
• Synonyms: N,N-Diisopropyl-2-methoxybenzamide

Database IDs

• CAS Number: 148491-00-3
• MDL Number: MFCD01341982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.660333
• LogD (pH = 7.4): 2.660333
• Log P: 2.660333
• Molar Refractivity: 69.7278 cm^3
• Polarizability: 26.72647 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%