3-ethoxy-N,N-diethyl-4-hydroxybenzamide

• ChemBase ID: 111651
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: CCOc1c(O)ccc(c1)C(=O)N(CC)CC
• Canonical SMILES: CCOc1cc(ccc1O)C(=O)N(CC)CC
• InChI: InChI=1S/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3
• InChIKey: CSGBRIWXMBIKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N,N-diethyl-4-hydroxybenzamide
• IUPAC Traditional name: 3-ethoxy-N,N-diethyl-4-hydroxybenzamide
• Synonyms: ANACARDOL PRACTICAL GRADE

Database IDs

• PubChem SID: 162106610
• PubChem CID: 26324

CALCULATED PROPERTIES

• Acid pKa: 8.934171
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8802663
• LogD (pH = 7.4): 1.8680048
• Log P: 1.8804256
• Molar Refractivity: 67.6197 cm^3
• Polarizability: 25.49602 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05220237

MP Biomedicals Rare Chemical collection