2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide

• ChemBase ID: 256404
• Molecular Formular: C12H16N2O3
• Molecular Mass: 236.26704
• Monoisotopic Mass: 236.11609238
• SMILES: c1(cc(N)ccc1OC)OCC(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1OCC(=O)NC1CC1)N
• InChI: InChI=1S/C12H16N2O3/c1-16-10-5-2-8(13)6-11(10)17-7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
• InChIKey: GYCSEZDLCKNECW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09732316
• PubChem SID: 164312314
• PubChem CID: 16785575

CALCULATED PROPERTIES

• Acid pKa: 14.839147
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.1356717
• LogD (pH = 7.4): 0.18854067
• Log P: 0.18925864
• Molar Refractivity: 63.6995 cm^3
• Polarizability: 24.376148 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): -0.294

Product Information

• Purity: 95%