N-[4-(2-aminoethoxy)phenyl]acetamide

• ChemBase ID: 264024
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(Nc1ccc(cc1)OCCN)C
• Canonical SMILES: NCCOc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H14N2O2/c1-8(13)12-9-2-4-10(5-3-9)14-7-6-11/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: GMAAGXQXYFWZEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-aminoethoxy)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2-aminoethoxy)phenyl]acetamide
• Synonyms: N-[4-(2-aminoethoxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD10025118
• PubChem SID: 164319934
• PubChem CID: 21535032

CALCULATED PROPERTIES

• Acid pKa: 14.9737835
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7052968
• LogD (pH = 7.4): -1.5996585
• Log P: 0.2563011
• Molar Refractivity: 55.334 cm^3
• Polarizability: 21.091997 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.437

Product Information

• Purity: 95%