2-methoxy-N,N-bis(2-methylpropyl)benzamide

• ChemBase ID: 300838
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: CC(C)CN(CC(C)C)C(=O)c1ccccc1OC
• Canonical SMILES: COc1ccccc1C(=O)N(CC(C)C)CC(C)C
• InChI: InChI=1S/C16H25NO2/c1-12(2)10-17(11-13(3)4)16(18)14-8-6-7-9-15(14)19-5/h6-9,12-13H,10-11H2,1-5H3
• InChIKey: BQMSFQBLAFUJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N,N-bis(2-methylpropyl)benzamide
• IUPAC Traditional name: 2-methoxy-N,N-bis(2-methylpropyl)benzamide
• Synonyms: N,N-Diisobutyl-2-methoxybenzamide

Database IDs

• CAS Number: 560079-02-9
• MDL Number: MFCD03385790

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.602173
• LogD (pH = 7.4): 3.6021733
• Log P: 3.6021733
• Molar Refractivity: 78.8814 cm^3
• Polarizability: 30.412718 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• 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%