N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide

C47H89N9O19 — CID 157074229

About N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide

N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide (PubChem CID 157074229) has the molecular formula C47H89N9O19 and a molecular weight of 1084.27 g/mol. Its IUPAC name is N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide
• PubChem CID: 157074229
• Molecular Formula: C47H89N9O19
• Molecular Weight: 1084.27 g/mol
• Exact Mass: 1083.63
• IUPAC Name: N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide
• SMILES: C=C(NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)OCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1
• InChI: InChI=1S/C47H89N9O19/c1-41(48-6-7-49-43(57)35-50-44(58)36-51-45(59)37-52-46(60)38-53-61)75-40-42-39-56(55-54-42)8-10-63-12-14-65-16-18-67-20-22-69-24-26-71-28-30-73-32-34-74-33-31-72-29-27-70-25-23-68-21-19-66-17-15-64-13-11-62-9-5-47(2,3)4/h39,48,53,61H,1,5-38,40H2,2-4H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)
• InChIKey: CTEAGWFYGZFGTH-UHFFFAOYSA-N
• XLogP: -2.05
• TPSA: 320.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 56
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.27
LogP ≤ 5	-2.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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 N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide?

The IUPAC name of N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide (CID 157074229) is N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide.

What is the SMILES notation for N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide?

The canonical SMILES for N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide is C=C(NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNO)OCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C)nn1.

What is the InChIKey of N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide?

The InChIKey is CTEAGWFYGZFGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H89N9O19/c1-41(48-6-7-49-43(57)35-50-44(58)36-51-45(59)37-52-46(60)38-53-61)75-40-42-39-56(55-54-42)8-10-63-12-14-65-16-18-67-20-22-69-24-26-71-28-30-73-32-34-74-33-31-72-29-27-70-25-23-68-21-19-66-17-15-64-13-11-62-9-5-47(2,3)4/h39,48,53,61H,1,5-38,40H2,2-4H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60).

What are the key properties of N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide?

N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide has a molecular weight of 1084.27 g/mol, XLogP of -2.05, 56 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethenylamino]ethyl]-2-[[2-[[2-[[2-(hydroxyamino)acetyl]amino]acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 157074229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).