2-amino-N-(2-hydroxyethyl)-N-methylbenzamide

• ChemBase ID: 124070
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1c(N)cccc1)N(CCO)C
• Canonical SMILES: OCCN(C(=O)c1ccccc1N)C
• InChI: InChI=1S/C10H14N2O2/c1-12(6-7-13)10(14)8-4-2-3-5-9(8)11/h2-5,13H,6-7,11H2,1H3
• InChIKey: YXFJMJULNZKBNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-hydroxyethyl)-N-methylbenzamide
• IUPAC Traditional name: 2-amino-N-(2-hydroxyethyl)-N-methylbenzamide
• Synonyms: 2-amino-N-(2-hydroxyethyl)-N-methylbenzamide

Database IDs

• PubChem SID: 162218423
• PubChem CID: 16768991

CALCULATED PROPERTIES

• Acid pKa: 15.574232
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.40134662
• LogD (pH = 7.4): 0.4021994
• Log P: 0.40221027
• Molar Refractivity: 55.9225 cm^3
• Polarizability: 20.455547 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true