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

• ChemBase ID: 351832
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CCOC)CC2)C/C=C/c1ccccc1
• Canonical SMILES: COCCC(=O)N1CCC2(CC1)CC(=O)N(C2)C/C=C/c1ccccc1
• InChI: InChI=1S/C21H28N2O3/c1-26-15-9-19(24)22-13-10-21(11-14-22)16-20(25)23(17-21)12-5-8-18-6-3-2-4-7-18/h2-8H,9-17H2,1H3/b8-5+
• InChIKey: FXNJGWCQCJLBEG-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.254318
• LogD (pH = 7.4): 1.2543185
• Log P: 1.2543185
• Molar Refractivity: 102.9044 cm^3
• Polarizability: 39.43463 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.09
• LOG S: -3.58
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6