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

• ChemBase ID: 23443
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1ccc(N)cc1)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)N
• InChI: InChI=1S/C10H14N2O2/c1-14-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: XWLTXNUHPJFIJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 4-amino-N-(2-methoxyethyl)benzamide
• Synonyms: 4-Amino-N-(2-methoxyethyl)benzamide

Database IDs

• CAS Number: 95086-97-8
• MDL Number: MFCD03407447
• PubChem SID: 160986750
• PubChem CID: 4713672

CALCULATED PROPERTIES

• Acid pKa: 15.737443
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.16887066
• LogD (pH = 7.4): 0.17162548
• Log P: 0.1716607
• Molar Refractivity: 55.777 cm^3
• Polarizability: 20.524889 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