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

• ChemBase ID: 459766
• Molecular Formular: C25H30N2O
• Molecular Mass: 374.5185
• Monoisotopic Mass: 374.23581359
• SMILES: C12(C(C1)C(=O)NCCc1ccccc1)CCN(CC2)C/C=C/c1ccccc1
• Canonical SMILES: O=C(C1CC21CCN(CC2)C/C=C/c1ccccc1)NCCc1ccccc1
• InChI: InChI=1S/C25H30N2O/c28-24(26-16-13-22-10-5-2-6-11-22)23-20-25(23)14-18-27(19-15-25)17-7-12-21-8-3-1-4-9-21/h1-12,23H,13-20H2,(H,26,28)/b12-7+
• InChIKey: LYKHXEBYEFXPOK-KPKJPENVSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.996004
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3295795
• LogD (pH = 7.4): 3.0905118
• Log P: 4.150877
• Molar Refractivity: 116.6092 cm^3
• Polarizability: 45.03339 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.59
• LOG S: -4.97
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7