2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-(propan-2-yl)acetamide

• ChemBase ID: 852096
• Molecular Formular: C12H26N2O2
• Molecular Mass: 230.34704
• Monoisotopic Mass: 230.19942808
• SMILES: C(=O)(NC(C)C)CNC(CC(OC)(C)C)C
• Canonical SMILES: COC(CC(NCC(=O)NC(C)C)C)(C)C
• InChI: InChI=1S/C12H26N2O2/c1-9(2)14-11(15)8-13-10(3)7-12(4,5)16-6/h9-10,13H,7-8H2,1-6H3,(H,14,15)
• InChIKey: YKHYPORDJHBVEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide
• Synonyms: N-isopropyl-2-[(3-methoxy-1,3-dimethylbutyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.019806
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4474392
• LogD (pH = 7.4): -0.99406374
• Log P: 0.6019322
• Molar Refractivity: 66.049 cm^3
• Polarizability: 26.257692 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.03
• LOG S: -1.76
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7