benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate

C24H40N2O3Si — CID 66783504

About benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate

benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate (PubChem CID 66783504) has the molecular formula C24H40N2O3Si and a molecular weight of 432.68 g/mol. Its IUPAC name is benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate
• PubChem CID: 66783504
• Molecular Formula: C24H40N2O3Si
• Molecular Weight: 432.68 g/mol
• Exact Mass: 432.28
• IUPAC Name: benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate
• SMILES: CC(C)(C)[Si](C)(C)OC1CN(CCCNC(=O)OCc2ccccc2)CCC12CC2
• InChI: InChI=1S/C24H40N2O3Si/c1-23(2,3)30(4,5)29-21-18-26(17-14-24(21)12-13-24)16-9-15-25-22(27)28-19-20-10-7-6-8-11-20/h6-8,10-11,21H,9,12-19H2,1-5H3,(H,25,27)
• InChIKey: BCIVLFNMFGVFJW-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.68
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate?

The IUPAC name of benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate (CID 66783504) is benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate.

What is the SMILES notation for benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate?

The canonical SMILES for benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate is CC(C)(C)[Si](C)(C)OC1CN(CCCNC(=O)OCc2ccccc2)CCC12CC2.

What is the InChIKey of benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate?

The InChIKey is BCIVLFNMFGVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3Si/c1-23(2,3)30(4,5)29-21-18-26(17-14-24(21)12-13-24)16-9-15-25-22(27)28-19-20-10-7-6-8-11-20/h6-8,10-11,21H,9,12-19H2,1-5H3,(H,25,27).

What are the key properties of benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate?

benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate has a molecular weight of 432.68 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate is sourced from PubChem (CID 66783504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).