About 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide (PubChem CID 123733768) has the molecular formula C20H41N5O9
and a molecular weight of 495.57 g/mol. Its IUPAC name is 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide.
Molecular Properties
| Compound Name | 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide |
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| PubChem CID | 123733768 |
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| Molecular Formula | C20H41N5O9 |
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| Molecular Weight | 495.57 g/mol |
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| Exact Mass | 495.29 |
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| IUPAC Name | 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide |
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| SMILES | NNCCOCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(N)=O |
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| InChI | InChI=1S/C20H41N5O9/c21-18(26)15-32-8-1-6-29-10-3-23-19(27)16-33-9-2-7-30-11-4-24-20(28)17-34-14-13-31-12-5-25-22/h25H,1-17,22H2,(H2,21,26)(H,23,27)(H,24,28) |
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| InChIKey | LMNPRDKJTRFNMG-UHFFFAOYSA-N |
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| XLogP | -2.95 |
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| TPSA | 194.72 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 26 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 495.57 |
| LogP ≤ 5 | -2.95 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 11 |
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'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The IUPAC name of 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide (CID 123733768) is 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide.
What is the SMILES notation for 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The canonical SMILES for 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide is NNCCOCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(N)=O.
What is the InChIKey of 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?
The InChIKey is LMNPRDKJTRFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O9/c21-18(26)15-32-8-1-6-29-10-3-23-19(27)16-33-9-2-7-30-11-4-24-20(28)17-34-14-13-31-12-5-25-22/h25H,1-17,22H2,(H2,21,26)(H,23,27)(H,24,28).
What are the key properties of 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?
2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide has a molecular weight of 495.57 g/mol, XLogP of -2.95, 26 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide is sourced from PubChem (CID 123733768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).