3-amino-N-(2-methoxyethyl)benzamide

• ChemBase ID: 23377
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1cc(N)ccc1)NCCOC
• Canonical SMILES: COCCNC(=O)c1cccc(c1)N
• InChI: InChI=1S/C10H14N2O2/c1-14-6-5-12-10(13)8-3-2-4-9(11)7-8/h2-4,7H,5-6,11H2,1H3,(H,12,13)
• InChIKey: UXRVHCQXTPTRIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 3-amino-N-(2-methoxyethyl)benzamide
• Synonyms: 3-Amino-N-(2-methoxyethyl)benzamide

Database IDs

• MDL Number: MFCD09047611
• PubChem SID: 160986684
• PubChem CID: 16775185

CALCULATED PROPERTIES

• Acid pKa: 15.118102
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.16925772
• LogD (pH = 7.4): 0.17163037
• Log P: 0.1716607
• Molar Refractivity: 55.777 cm^3
• Polarizability: 20.525717 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false