ethyl 2-[3-oxo-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]propanoate

• ChemBase ID: 858091
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)CC2(C1)CCN(C(C(=O)OCC)C)CC2)CCCc1ccccc1
• Canonical SMILES: CCOC(=O)C(N1CCC2(CC1)CC(=O)N(C2)CCCc1ccccc1)C
• InChI: InChI=1S/C22H32N2O3/c1-3-27-21(26)18(2)23-14-11-22(12-15-23)16-20(25)24(17-22)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,18H,3,7,10-17H2,1-2H3
• InChIKey: WYRVQVQLBKWJMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-oxo-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]propanoate
• IUPAC Traditional name: ethyl 2-[3-oxo-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]propanoate
• Synonyms: ethyl 2-[3-oxo-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]dec-8-yl]propanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1367733
• LogD (pH = 7.4): 2.49437
• Log P: 2.6372967
• Molar Refractivity: 106.614 cm^3
• Polarizability: 41.83449 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.9
• LOG S: -5.25
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8