[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane

C90H174N18O37 — CID 158417877

About [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane

[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane (PubChem CID 158417877) has the molecular formula C90H174N18O37 and a molecular weight of 2100.47 g/mol. Its IUPAC name is [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane.

Molecular Properties

• Compound Name: [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane
• PubChem CID: 158417877
• Molecular Formula: C90H174N18O37
• Molecular Weight: 2100.47 g/mol
• Exact Mass: 2099.23
• IUPAC Name: [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane
• SMILES: C=C(NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)OCc1cn(CCOCCOCCOCCC)nn1.CCC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(COC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)nn1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C
• InChI: InChI=1S/C38H71N9O18.C25H52O10.C24H43N9O9.C3H8/c1-2-54-7-8-56-11-12-58-15-16-60-19-20-62-23-24-64-26-25-63-22-21-61-18-17-59-14-13-57-10-9-55-6-5-47-31-33(45-46-47)32-65-38(52)40-4-3-39-34(48)27-41-35(49)28-42-36(50)29-43-37(51)30-44-53;1-25(2,3)5-6-27-9-10-29-13-14-31-17-18-33-21-22-35-24-23-34-20-19-32-16-15-30-12-11-28-8-7-26-4;1-3-7-39-9-11-41-12-10-40-8-6-33-17-20(31-32-33)18-42-19(2)25-4-5-26-21(34)13-27-22(35)14-28-23(36)15-29-24(37)16-30-38;1-3-2/h31,44,53H,2-30,32H2,1H3,(H,39,48)(H,40,52)(H,41,49)(H,42,50)(H,43,51);5-24H2,1-4H3;17,25,30,38H,2-16,18H2,1H3,(H,26,34)(H,27,35)(H,28,36)(H,29,37);3H2,1-2H3
• InChIKey: HACVVQOGVSVOEK-UHFFFAOYSA-N
• XLogP: -3.46
• TPSA: 639.85 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 102
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.47
LogP ≤ 5	-3.46
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane?

The IUPAC name of [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane (CID 158417877) is [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane.

What is the SMILES notation for [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane?

The canonical SMILES for [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane is C=C(NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)OCc1cn(CCOCCOCCOCCC)nn1.CCC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(COC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)nn1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C.

What is the InChIKey of [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane?

The InChIKey is HACVVQOGVSVOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71N9O18.C25H52O10.C24H43N9O9.C3H8/c1-2-54-7-8-56-11-12-58-15-16-60-19-20-62-23-24-64-26-25-63-22-21-61-18-17-59-14-13-57-10-9-55-6-5-47-31-33(45-46-47)32-65-38(52)40-4-3-39-34(48)27-41-35(49)28-42-36(50)29-43-37(51)30-44-53;1-25(2,3)5-6-27-9-10-29-13-14-31-17-18-33-21-22-35-24-23-34-20-19-32-16-15-30-12-11-28-8-7-26-4;1-3-7-39-9-11-41-12-10-40-8-6-33-17-20(31-32-33)18-42-19(2)25-4-5-26-21(34)13-27-22(35)14-28-23(36)15-29-24(37)16-30-38;1-3-2/h31,44,53H,2-30,32H2,1H3,(H,39,48)(H,40,52)(H,41,49)(H,42,50)(H,43,51);5-24H2,1-4H3;17,25,30,38H,2-16,18H2,1H3,(H,26,34)(H,27,35)(H,28,36)(H,29,37);3H2,1-2H3.

What are the key properties of [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane?

[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane has a molecular weight of 2100.47 g/mol, XLogP of -3.46, 102 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl N-[2-[[2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate;2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]acetamide;1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;propane is sourced from PubChem (CID 158417877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).