tert-butyl 2-benzyl-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

• ChemBase ID: 63703
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C1C2(C(=O)N(Cc3ccccc3)CC2)CN(C(=O)OC(C)(C)C)CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCN(C2=O)Cc1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-12-7-10-20(15-22)11-13-21(17(20)23)14-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
• InChIKey: SXPPWMULMVXLHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-benzyl-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
• IUPAC Traditional name: tert-butyl 2-benzyl-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
• Synonyms: tert-Butyl 3-benzyl-4-oxo-3,9-diazaspiro[4.5]decane-9-carboxylate

Database IDs

• CAS Number: 1198284-76-2
• MDL Number: MFCD12912609
• PubChem SID: 162029442
• PubChem CID: 49760084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7666967
• LogD (pH = 7.4): 2.7666967
• Log P: 2.7666967
• Molar Refractivity: 96.914 cm^3
• Polarizability: 37.760914 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%