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

• ChemBase ID: 299319
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: CC(C)NC(=O)c1ccccc1OC
• Canonical SMILES: COc1ccccc1C(=O)NC(C)C
• InChI: InChI=1S/C11H15NO2/c1-8(2)12-11(13)9-6-4-5-7-10(9)14-3/h4-8H,1-3H3,(H,12,13)
• InChIKey: HLJOTMHBUBWEEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-2-methoxybenzamide
• Synonyms: N-Isopropyl-2-methoxybenzamide

Database IDs

• CAS Number: 550300-23-7
• PubChem SID: 180684850
• PubChem CID: 4449169

CALCULATED PROPERTIES

• Acid pKa: 14.2673645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6632738
• LogD (pH = 7.4): 1.6632738
• Log P: 1.6632739
• Molar Refractivity: 55.6637 cm^3
• Polarizability: 21.201988 Å^3
• Polar Surface Area: 38.33 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-P501A

Product Information

• Purity: 97%