N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 856107
• Molecular Formular: C20H28N2O
• Molecular Mass: 312.44912
• Monoisotopic Mass: 312.22016353
• SMILES: C1(C2(C1)CCNCC2)C(=O)N(C/C=C/c1ccccc1)CCC
• Canonical SMILES: CCCN(C(=O)C1CC21CCNCC2)C/C=C/c1ccccc1
• InChI: InChI=1S/C20H28N2O/c1-2-14-22(15-6-9-17-7-4-3-5-8-17)19(23)18-16-20(18)10-12-21-13-11-20/h3-9,18,21H,2,10-16H2,1H3/b9-6+
• InChIKey: VTKQQVJYLASCAG-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.36240146
• LogD (pH = 7.4): 0.32351714
• Log P: 2.857701
• Molar Refractivity: 96.1162 cm^3
• Polarizability: 37.249126 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.55
• LOG S: -3.66
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6