8-(3-ethoxypropanoyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 831768
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CCOCC)CC2)C/C=C/c1ccccc1
• Canonical SMILES: CCOCCC(=O)N1CCC2(CC1)CC(=O)N(C2)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H30N2O3/c1-2-27-16-10-20(25)23-14-11-22(12-15-23)17-21(26)24(18-22)13-6-9-19-7-4-3-5-8-19/h3-9H,2,10-18H2,1H3/b9-6+
• InChIKey: XWSMQIMEKCQTJI-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-ethoxypropanoyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(3-ethoxypropanoyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-ethoxypropanoyl)-2-[(2E)-3-phenyl-2-propen-1-yl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.611126
• LogD (pH = 7.4): 1.6111264
• Log P: 1.6111264
• Molar Refractivity: 107.653 cm^3
• Polarizability: 41.275948 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.62
• LOG S: -4.14
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7