N-[3-amino-4-(morpholin-4-yl)phenyl]acetamide

• ChemBase ID: 123018
• Molecular Formular: C12H17N3O2
• Molecular Mass: 235.28228
• Monoisotopic Mass: 235.1320768
• SMILES: c1(N2CCOCC2)c(cc(NC(=O)C)cc1)N
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)N)N1CCOCC1
• InChI: InChI=1S/C12H17N3O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16)
• InChIKey: RKMPUHMDPRKHKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-amino-4-(morpholin-4-yl)phenyl]acetamide
• IUPAC Traditional name: N-[3-amino-4-(morpholin-4-yl)phenyl]acetamide
• Synonyms: N-(3-amino-4-morpholinophenyl)acetamide

Database IDs

• PubChem SID: 162217371
• PubChem CID: 42560587

CALCULATED PROPERTIES

• Acid pKa: 15.794936
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.267037
• LogD (pH = 7.4): 0.27151623
• Log P: 0.27157363
• Molar Refractivity: 69.1245 cm^3
• Polarizability: 24.82865 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true