2-(cycloheptylamino)-N-(propan-2-yl)acetamide

• ChemBase ID: 616813
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: C(=O)(NC(C)C)CNC1CCCCCC1
• Canonical SMILES: CC(NC(=O)CNC1CCCCCC1)C
• InChI: InChI=1S/C12H24N2O/c1-10(2)14-12(15)9-13-11-7-5-3-4-6-8-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
• InChIKey: VEPGSIGLCIAQCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cycloheptylamino)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-(cycloheptylamino)-N-isopropylacetamide
• Synonyms: 2-(cycloheptylamino)-N-isopropylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.083105
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4215679
• LogD (pH = 7.4): -0.18761475
• Log P: 1.7190604
• Molar Refractivity: 62.2795 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.16
• LOG S: -2.6
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4