About 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide
2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide (PubChem CID 123890184) has the molecular formula C19H41N7O9
and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide.
Molecular Properties
| Compound Name | 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide |
|---|
| PubChem CID | 123890184 |
|---|
| Molecular Formula | C19H41N7O9 |
|---|
| Molecular Weight | 511.58 g/mol |
|---|
| Exact Mass | 511.30 |
|---|
| IUPAC Name | 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide |
|---|
| SMILES | NNCCOCCOCC(=O)NNNCCOCCOCC(=O)NCCOCCCOCC(N)=O |
|---|
| InChI | InChI=1S/C19H41N7O9/c20-17(27)14-33-6-1-5-30-7-2-22-18(28)15-34-12-11-32-9-4-24-26-25-19(29)16-35-13-10-31-8-3-23-21/h23-24,26H,1-16,21H2,(H2,20,27)(H,22,28)(H,25,29) |
|---|
| InChIKey | HUOTUTFDQHSTFC-UHFFFAOYSA-N |
|---|
| XLogP | -4.33 |
|---|
| TPSA | 218.78 Ų |
|---|
| H-Bond Donors | 7 |
|---|
| H-Bond Acceptors | 13 |
|---|
| Rotatable Bonds | 27 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 511.58 |
| LogP ≤ 5 | -4.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The IUPAC name of 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide (CID 123890184) is 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide.
What is the SMILES notation for 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The canonical SMILES for 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide is NNCCOCCOCC(=O)NNNCCOCCOCC(=O)NCCOCCCOCC(N)=O.
What is the InChIKey of 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The InChIKey is HUOTUTFDQHSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N7O9/c20-17(27)14-33-6-1-5-30-7-2-22-18(28)15-34-12-11-32-9-4-24-26-25-19(29)16-35-13-10-31-8-3-23-21/h23-24,26H,1-16,21H2,(H2,20,27)(H,22,28)(H,25,29).
What are the key properties of 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide?
2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide has a molecular weight of 511.58 g/mol, XLogP of -4.33, 27 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide is sourced from PubChem (CID 123890184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).