N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

• ChemBase ID: 285681
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: N(c1c(cccc1CC)C)(C(=O)C)COCC
• Canonical SMILES: CCOCN(c1c(C)cccc1CC)C(=O)C
• InChI: InChI=1S/C14H21NO2/c1-5-13-9-7-8-11(3)14(13)15(12(4)16)10-17-6-2/h7-9H,5-6,10H2,1-4H3
• InChIKey: CGTPWDSKALFRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
• IUPAC Traditional name: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
• Synonyms: N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD21602610
• PubChem SID: 180671212
• PubChem CID: 53720219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.966367
• LogD (pH = 7.4): 2.966367
• Log P: 2.966367
• Molar Refractivity: 69.3219 cm^3
• Polarizability: 26.792011 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.277

Product Information

• Purity: 95%