2-chloro-N-(2,6-diethylphenyl)-N-(ethoxymethyl)acetamide

• ChemBase ID: 285680
• Molecular Formular: C15H22ClNO2
• Molecular Mass: 283.79368
• Monoisotopic Mass: 283.13390663
• SMILES: N(c1c(cccc1CC)CC)(C(=O)CCl)COCC
• Canonical SMILES: CCOCN(c1c(CC)cccc1CC)C(=O)CCl
• InChI: InChI=1S/C15H22ClNO2/c1-4-12-8-7-9-13(5-2)15(12)17(11-19-6-3)14(18)10-16/h7-9H,4-6,10-11H2,1-3H3
• InChIKey: YUOGZFIPLSQKQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-diethylphenyl)-N-(ethoxymethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,6-diethylphenyl)-N-(ethoxymethyl)acetamide
• Synonyms: 2-chloro-N-(2,6-diethylphenyl)-N-(ethoxymethyl)acetamide

Database IDs

• MDL Number: MFCD21602609
• PubChem SID: 180671211
• PubChem CID: 10957005

CALCULATED PROPERTIES

• Acid pKa: 16.603292
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9482796
• LogD (pH = 7.4): 3.9482796
• Log P: 3.9482796
• Molar Refractivity: 78.6761 cm^3
• Polarizability: 30.456944 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.419

Product Information

• Purity: 95%