2-(5-amino-2-methoxyphenoxy)-N,N-diethylacetamide

• ChemBase ID: 265801
• Molecular Formular: C13H20N2O3
• Molecular Mass: 252.3095
• Monoisotopic Mass: 252.14739251
• SMILES: C(=O)(N(CC)CC)COc1cc(N)ccc1OC
• Canonical SMILES: CCN(C(=O)COc1cc(N)ccc1OC)CC
• InChI: InChI=1S/C13H20N2O3/c1-4-15(5-2)13(16)9-18-12-8-10(14)6-7-11(12)17-3/h6-8H,4-5,9,14H2,1-3H3
• InChIKey: WHQFHWSMITZRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-2-methoxyphenoxy)-N,N-diethylacetamide
• IUPAC Traditional name: 2-(5-amino-2-methoxyphenoxy)-N,N-diethylacetamide
• Synonyms: 2-(5-amino-2-methoxyphenoxy)-N,N-diethylacetamide

Database IDs

• MDL Number: MFCD09732422
• PubChem SID: 164321711
• PubChem CID: 16785684

CALCULATED PROPERTIES

• Acid pKa: 16.587305
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5997687
• LogD (pH = 7.4): 0.6601585
• Log P: 0.66098607
• Molar Refractivity: 70.8822 cm^3
• Polarizability: 26.931545 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.932

Product Information

• Purity: 95%