1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide

C39H83N5O13Si2 — CID 164979771

About 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide

1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide (PubChem CID 164979771) has the molecular formula C39H83N5O13Si2 and a molecular weight of 886.29 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide
• PubChem CID: 164979771
• Molecular Formula: C39H83N5O13Si2
• Molecular Weight: 886.29 g/mol
• Exact Mass: 885.55
• IUPAC Name: 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide
• SMILES: CCCOCCOCCOCCOCCOCCN=[N+]=[N-].CCCOCCOCCOCCOCCOCCNC(=O)CCC[Si](C)(C)O[Si](C)(C)CCCC(=O)NC
• InChI: InChI=1S/C26H56N2O8Si2.C13H27N3O5/c1-7-13-31-15-17-33-19-21-35-22-20-34-18-16-32-14-12-28-26(30)11-9-24-38(5,6)36-37(3,4)23-8-10-25(29)27-2;1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15-16-14/h7-24H2,1-6H3,(H,27,29)(H,28,30);2-13H2,1H3
• InChIKey: FHTLATFHJIKPKY-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 208.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 44
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.29
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide?

The IUPAC name of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide (CID 164979771) is 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide.

What is the SMILES notation for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide?

The canonical SMILES for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide is CCCOCCOCCOCCOCCOCCN=[N+]=[N-].CCCOCCOCCOCCOCCOCCNC(=O)CCC[Si](C)(C)O[Si](C)(C)CCCC(=O)NC.

What is the InChIKey of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide?

The InChIKey is FHTLATFHJIKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O8Si2.C13H27N3O5/c1-7-13-31-15-17-33-19-21-35-22-20-34-18-16-32-14-12-28-26(30)11-9-24-38(5,6)36-37(3,4)23-8-10-25(29)27-2;1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-15-16-14/h7-24H2,1-6H3,(H,27,29)(H,28,30);2-13H2,1H3.

What are the key properties of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide?

1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide has a molecular weight of 886.29 g/mol, XLogP of 5.12, 44 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide is sourced from PubChem (CID 164979771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).