About 4-N'-ethyl-4-N-propanoylbutanedihydrazide
4-N'-ethyl-4-N-propanoylbutanedihydrazide (PubChem CID 18967872) has the molecular formula C9H18N4O3
and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-N'-ethyl-4-N-propanoylbutanedihydrazide.
Molecular Properties
| Compound Name | 4-N'-ethyl-4-N-propanoylbutanedihydrazide |
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| PubChem CID | 18967872 |
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| Molecular Formula | C9H18N4O3 |
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| Molecular Weight | 230.27 g/mol |
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| Exact Mass | 230.14 |
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| IUPAC Name | 4-N'-ethyl-4-N-propanoylbutanedihydrazide |
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| SMILES | CCNN(C(=O)CC)C(=O)CCC(=O)NN |
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| InChI | InChI=1S/C9H18N4O3/c1-3-8(15)13(11-4-2)9(16)6-5-7(14)12-10/h11H,3-6,10H2,1-2H3,(H,12,14) |
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| InChIKey | PEWXBAUYGLCTIT-UHFFFAOYSA-N |
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| XLogP | -0.95 |
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| TPSA | 104.53 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 230.27 |
| LogP ≤ 5 | -0.95 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', '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 4-N'-ethyl-4-N-propanoylbutanedihydrazide?
The IUPAC name of 4-N'-ethyl-4-N-propanoylbutanedihydrazide (CID 18967872) is 4-N'-ethyl-4-N-propanoylbutanedihydrazide.
What is the SMILES notation for 4-N'-ethyl-4-N-propanoylbutanedihydrazide?
The canonical SMILES for 4-N'-ethyl-4-N-propanoylbutanedihydrazide is CCNN(C(=O)CC)C(=O)CCC(=O)NN.
What is the InChIKey of 4-N'-ethyl-4-N-propanoylbutanedihydrazide?
The InChIKey is PEWXBAUYGLCTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-3-8(15)13(11-4-2)9(16)6-5-7(14)12-10/h11H,3-6,10H2,1-2H3,(H,12,14).
What are the key properties of 4-N'-ethyl-4-N-propanoylbutanedihydrazide?
4-N'-ethyl-4-N-propanoylbutanedihydrazide has a molecular weight of 230.27 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-ethyl-4-N-propanoylbutanedihydrazide is sourced from PubChem (CID 18967872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).