2-amino-N-[2-(morpholin-4-yl)ethyl]benzamide

• ChemBase ID: 312130
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: c1(C(=O)NCCN2CCOCC2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCCN1CCOCC1
• InChI: InChI=1S/C13H19N3O2/c14-12-4-2-1-3-11(12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
• InChIKey: PYILUBAXZNMMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(morpholin-4-yl)ethyl]benzamide
• IUPAC Traditional name: 2-amino-N-[2-(morpholin-4-yl)ethyl]benzamide
• Synonyms: 2-amino-N-[2-(4-morpholinyl)ethyl]benzamide

Database IDs

• CAS Number: 857486-15-8
• MDL Number: MFCD03764852

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.012906843
• LogD (pH = 7.4): 0.6499163
• Log P: 0.66878027
• Molar Refractivity: 71.8271 cm^3
• Polarizability: 26.845724 Å^3
• Polar Surface Area: 67.59 Å^2