2-methyl-2-(methylamino)-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide

• ChemBase ID: 432438
• Molecular Formular: C12H25N3O2
• Molecular Mass: 243.3458
• Monoisotopic Mass: 243.19467706
• SMILES: C(=O)(C(NC)(C)C)NCCC1OCCN(C1)C
• Canonical SMILES: CNC(C(=O)NCCC1OCCN(C1)C)(C)C
• InChI: InChI=1S/C12H25N3O2/c1-12(2,13-3)11(16)14-6-5-10-9-15(4)7-8-17-10/h10,13H,5-9H2,1-4H3,(H,14,16)
• InChIKey: JOZAYPTWWMPDAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(methylamino)-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
• IUPAC Traditional name: 2-methyl-2-(methylamino)-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
• Synonyms: N~2~,2-dimethyl-N~1~-[2-(4-methylmorpholin-2-yl)ethyl]alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.839011
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.1255236
• LogD (pH = 7.4): -2.1967545
• Log P: -0.3767607
• Molar Refractivity: 68.3333 cm^3
• Polarizability: 27.059452 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.99
• LOG S: -1.44
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5