N,N-dimethyl-2-{3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-8-yl}acetamide

• ChemBase ID: 403386
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: N1(C(=O)CC2(C1)CCN(CC(=O)N(C)C)CC2)C/C=C/c1ccccc1
• Canonical SMILES: CN(C(=O)CN1CCC2(CC1)CN(C(=O)C2)C/C=C/c1ccccc1)C
• InChI: InChI=1S/C21H29N3O2/c1-22(2)20(26)16-23-13-10-21(11-14-23)15-19(25)24(17-21)12-6-9-18-7-4-3-5-8-18/h3-9H,10-17H2,1-2H3/b9-6+
• InChIKey: PGRVYCSPWDASNZ-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-8-yl}acetamide
• IUPAC Traditional name: N,N-dimethyl-2-{3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-8-yl}acetamide
• Synonyms: N,N-dimethyl-2-{3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]dec-8-yl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1328382
• LogD (pH = 7.4): 0.5823306
• Log P: 1.0829258
• Molar Refractivity: 105.1806 cm^3
• Polarizability: 40.27109 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -3.37
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5