2-(4-aminophenoxy)-N-cyclopropylacetamide

• ChemBase ID: 123687
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: C1(NC(=O)COc2ccc(N)cc2)CC1
• Canonical SMILES: O=C(NC1CC1)COc1ccc(cc1)N
• InChI: InChI=1S/C11H14N2O2/c12-8-1-5-10(6-2-8)15-7-11(14)13-9-3-4-9/h1-2,5-6,9H,3-4,7,12H2,(H,13,14)
• InChIKey: KNMYPKRATKJDDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenoxy)-N-cyclopropylacetamide
• IUPAC Traditional name: 2-(4-aminophenoxy)-N-cyclopropylacetamide
• Synonyms: 2-(4-aminophenoxy)-N-cyclopropylacetamide

Database IDs

• PubChem SID: 162218040
• PubChem CID: 16774102

CALCULATED PROPERTIES

• Acid pKa: 15.074106
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.251961
• LogD (pH = 7.4): 0.34559372
• Log P: 0.3469299
• Molar Refractivity: 57.2363 cm^3
• Polarizability: 21.838362 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true