2-chloro-N-(ethoxymethyl)-N-[2-(propan-2-yl)phenyl]acetamide

• ChemBase ID: 255951
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: N(c1c(C(C)C)cccc1)(C(=O)CCl)COCC
• Canonical SMILES: CCOCN(c1ccccc1C(C)C)C(=O)CCl
• InChI: InChI=1S/C14H20ClNO2/c1-4-18-10-16(14(17)9-15)13-8-6-5-7-12(13)11(2)3/h5-8,11H,4,9-10H2,1-3H3
• InChIKey: WGFZEMNIICNKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(ethoxymethyl)-N-[2-(propan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-(ethoxymethyl)-N-(2-isopropylphenyl)acetamide
• Synonyms: 2-chloro-N-(ethoxymethyl)-N-(2-isopropylphenyl)acetamide

Database IDs

• MDL Number: MFCD09971682
• PubChem SID: 164311861
• PubChem CID: 28819354

CALCULATED PROPERTIES

• Acid pKa: 16.604477
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2773087
• LogD (pH = 7.4): 3.2773087
• Log P: 3.2773087
• Molar Refractivity: 73.5825 cm^3
• Polarizability: 28.694288 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.19

Product Information

• Purity: 95%