benzyl 6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decane-2-carboxylate

• ChemBase ID: 520082
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)OCc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C(C)C)OCc1ccccc1
• InChI: InChI=1S/C19H26N2O3/c1-15(2)21-11-6-9-19(17(21)22)10-12-20(14-19)18(23)24-13-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3
• InChIKey: UQSMJKFVUAVUBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: benzyl 7-isopropyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: benzyl 7-isopropyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4861195
• LogD (pH = 7.4): 2.48612
• Log P: 2.48612
• Molar Refractivity: 92.2758 cm^3
• Polarizability: 35.919582 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.62
• LOG S: -3.85
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4