2-(ethylamino)-N-(3-methoxyphenyl)acetamide

• ChemBase ID: 255176
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(Nc1cc(OC)ccc1)CNCC
• Canonical SMILES: CCNCC(=O)Nc1cccc(c1)OC
• InChI: InChI=1S/C11H16N2O2/c1-3-12-8-11(14)13-9-5-4-6-10(7-9)15-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
• InChIKey: JWXVXHBHBSTNAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide
• Synonyms: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD05263159
• PubChem SID: 164311086
• PubChem CID: 2113311

CALCULATED PROPERTIES

• Acid pKa: 13.144718
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9141711
• LogD (pH = 7.4): -0.2544515
• Log P: 0.9185434
• Molar Refractivity: 60.2671 cm^3
• Polarizability: 22.93312 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.196

Product Information

• Purity: 95%