7-(cyclobutylmethyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 660234
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(CC1)C/C=C/c1ccccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C/C=C/c1ccccc1)CC1CCC1
• InChI: InChI=1S/C22H30N2O/c25-21-22(12-6-15-24(21)17-20-9-4-10-20)13-16-23(18-22)14-5-11-19-7-2-1-3-8-19/h1-3,5,7-8,11,20H,4,6,9-10,12-18H2/b11-5+
• InChIKey: ULHHNTMAPUHSRD-VZUCSPMQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.38070744
• LogD (pH = 7.4): 1.8173665
• Log P: 3.7016132
• Molar Refractivity: 104.0752 cm^3
• Polarizability: 40.203205 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.04
• LOG S: -5.12
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5