N-cycloheptyl-2-(methylamino)-N-propylacetamide

• ChemBase ID: 474158
• Molecular Formular: C13H26N2O
• Molecular Mass: 226.35834
• Monoisotopic Mass: 226.20451346
• SMILES: C(=O)(N(C1CCCCCC1)CCC)CNC
• Canonical SMILES: CCCN(C(=O)CNC)C1CCCCCC1
• InChI: InChI=1S/C13H26N2O/c1-3-10-15(13(16)11-14-2)12-8-6-4-5-7-9-12/h12,14H,3-11H2,1-2H3
• InChIKey: ISDXWXPDTBDWEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-2-(methylamino)-N-propylacetamide
• IUPAC Traditional name: N-cycloheptyl-2-(methylamino)-N-propylacetamide
• Synonyms: N~1~-cycloheptyl-N~2~-methyl-N~1~-propylglycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9270203
• LogD (pH = 7.4): 0.62465835
• Log P: 2.048684
• Molar Refractivity: 67.2814 cm^3
• Polarizability: 26.681845 Å^3
• Polar Surface Area: 32.34 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: 2.43
• LOG S: -2.93
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5