2-amino-N-cyclopropyl-5-methoxybenzamide

• ChemBase ID: 271591
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: c1(C(=O)NC2CC2)c(ccc(c1)OC)N
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1CC1)N
• InChI: InChI=1S/C11H14N2O2/c1-15-8-4-5-10(12)9(6-8)11(14)13-7-2-3-7/h4-7H,2-3,12H2,1H3,(H,13,14)
• InChIKey: XHOHHLJZCNKJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropyl-5-methoxybenzamide
• IUPAC Traditional name: 2-amino-N-cyclopropyl-5-methoxybenzamide
• Synonyms: 2-amino-N-cyclopropyl-5-methoxybenzamide

Database IDs

• MDL Number: MFCD12811080
• PubChem SID: 164327501
• PubChem CID: 50989223

CALCULATED PROPERTIES

• Acid pKa: 15.05482
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.172212
• LogD (pH = 7.4): 1.1764748
• Log P: 1.1765295
• Molar Refractivity: 58.4079 cm^3
• Polarizability: 21.625158 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.201

Product Information

• Purity: 95%