2-(2-ethoxy-4-formylphenoxy)-N,N-dimethylpropanamide

• ChemBase ID: 233215
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: C(=O)(C(Oc1c(cc(C=O)cc1)OCC)C)N(C)C
• Canonical SMILES: CCOc1cc(C=O)ccc1OC(C(=O)N(C)C)C
• InChI: InChI=1S/C14H19NO4/c1-5-18-13-8-11(9-16)6-7-12(13)19-10(2)14(17)15(3)4/h6-10H,5H2,1-4H3
• InChIKey: FCQCUWKJHQOMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxy-4-formylphenoxy)-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-(2-ethoxy-4-formylphenoxy)-N,N-dimethylpropanamide
• Synonyms: 2-(2-ethoxy-4-formylphenoxy)-N,N-dimethylpropanamide

Database IDs

• MDL Number: MFCD04635872
• PubChem SID: 164289125
• PubChem CID: 3782587

CALCULATED PROPERTIES

• Acid pKa: 17.352484
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4143707
• LogD (pH = 7.4): 1.4143707
• Log P: 1.4143707
• Molar Refractivity: 72.5111 cm^3
• Polarizability: 27.695845 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.479

Product Information

• Purity: 95%