N-(3-methoxy-2,2-dimethylpropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

• ChemBase ID: 454785
• Molecular Formular: C14H27NO2
• Molecular Mass: 241.36968
• Monoisotopic Mass: 241.20417911
• SMILES: C1(C(C1C(=O)NCC(COC)(C)C)(C)C)(C)C
• Canonical SMILES: COCC(CNC(=O)C1C(C1(C)C)(C)C)(C)C
• InChI: InChI=1S/C14H27NO2/c1-12(2,9-17-7)8-15-11(16)10-13(3,4)14(10,5)6/h10H,8-9H2,1-7H3,(H,15,16)
• InChIKey: XMFARTRZKKFXRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxy-2,2-dimethylpropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• IUPAC Traditional name: N-(3-methoxy-2,2-dimethylpropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• Synonyms: N-(3-methoxy-2,2-dimethylpropyl)-2,2,3,3-tetramethylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.220844
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1319747
• LogD (pH = 7.4): 2.1319757
• Log P: 2.1319757
• Molar Refractivity: 69.4774 cm^3
• Polarizability: 27.68496 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.41
• LOG S: -3.02
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5