2-chloro-N-(ethoxymethyl)-N-(2-propylphenyl)acetamide

• ChemBase ID: 255950
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: N(c1c(CCC)cccc1)(C(=O)CCl)COCC
• Canonical SMILES: CCOCN(c1ccccc1CCC)C(=O)CCl
• InChI: InChI=1S/C14H20ClNO2/c1-3-7-12-8-5-6-9-13(12)16(11-18-4-2)14(17)10-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3
• InChIKey: FXAQWRNJIWFTJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(ethoxymethyl)-N-(2-propylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(ethoxymethyl)-N-(2-propylphenyl)acetamide
• Synonyms: 2-chloro-N-(ethoxymethyl)-N-(2-propylphenyl)acetamide

Database IDs

• MDL Number: MFCD09971681
• PubChem SID: 164311860
• PubChem CID: 28819353

CALCULATED PROPERTIES

• Acid pKa: 16.605196
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.434858
• LogD (pH = 7.4): 3.434858
• Log P: 3.434858
• Molar Refractivity: 73.6349 cm^3
• Polarizability: 28.694906 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.32

Product Information

• Purity: 95%