2-{[1-(dimethylamino)propan-2-yl]amino}-N-(propan-2-yl)acetamide

• ChemBase ID: 604347
• Molecular Formular: C10H23N3O
• Molecular Mass: 201.30912
• Monoisotopic Mass: 201.18411237
• SMILES: C(=O)(NC(C)C)CNC(CN(C)C)C
• Canonical SMILES: CN(CC(NCC(=O)NC(C)C)C)C
• InChI: InChI=1S/C10H23N3O/c1-8(2)12-10(14)6-11-9(3)7-13(4)5/h8-9,11H,6-7H2,1-5H3,(H,12,14)
• InChIKey: WBKSNIWYUFVINL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(dimethylamino)propan-2-yl]amino}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-{[1-(dimethylamino)propan-2-yl]amino}-N-isopropylacetamide
• Synonyms: 2-{[2-(dimethylamino)-1-methylethyl]amino}-N-isopropylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.15102
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2273226
• LogD (pH = 7.4): -1.5726856
• Log P: -0.08955918
• Molar Refractivity: 59.1022 cm^3
• Polarizability: 23.409372 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.38
• LOG S: -1.0
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6