2-(2-ethoxy-4-formylphenoxy)-N,N-bis(propan-2-yl)acetamide

• ChemBase ID: 233741
• Molecular Formular: C17H25NO4
• Molecular Mass: 307.3847
• Monoisotopic Mass: 307.17835829
• SMILES: C(=O)(N(C(C)C)C(C)C)COc1c(cc(C=O)cc1)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C17H25NO4/c1-6-21-16-9-14(10-19)7-8-15(16)22-11-17(20)18(12(2)3)13(4)5/h7-10,12-13H,6,11H2,1-5H3
• InChIKey: AXMKZWHSCUGAOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxy-4-formylphenoxy)-N,N-bis(propan-2-yl)acetamide
• IUPAC Traditional name: 2-(2-ethoxy-4-formylphenoxy)-N,N-diisopropylacetamide
• Synonyms: 2-(2-ethoxy-4-formylphenoxy)-N,N-diisopropylacetamide

Database IDs

• MDL Number: MFCD04621644
• PubChem SID: 164289651
• PubChem CID: 2393891

CALCULATED PROPERTIES

• Acid pKa: 16.530119
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3923724
• LogD (pH = 7.4): 2.3923724
• Log P: 2.3923724
• Molar Refractivity: 86.352 cm^3
• Polarizability: 33.20611 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.846

Product Information

• Purity: 95%