About 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide
7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide (PubChem CID 143690477) has the molecular formula C21H44N6O4S
and a molecular weight of 476.69 g/mol. Its IUPAC name is 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide.
Molecular Properties
| Compound Name | 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide |
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| PubChem CID | 143690477 |
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| Molecular Formula | C21H44N6O4S |
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| Molecular Weight | 476.69 g/mol |
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| Exact Mass | 476.31 |
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| IUPAC Name | 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide |
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| SMILES | CCCNC(=O)CCCCCC(=O)NNC.CSCCNC(=O)CCCCCC(=O)NN |
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| InChI | InChI=1S/C11H23N3O2.C10H21N3O2S/c1-3-9-13-10(15)7-5-4-6-8-11(16)14-12-2;1-16-8-7-12-9(14)5-3-2-4-6-10(15)13-11/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16);2-8,11H2,1H3,(H,12,14)(H,13,15) |
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| InChIKey | RCLFRDYHCLZCSV-UHFFFAOYSA-N |
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| XLogP | 1.12 |
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| TPSA | 154.45 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 476.69 |
| LogP ≤ 5 | 1.12 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide?
The IUPAC name of 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide (CID 143690477) is 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide.
What is the SMILES notation for 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide?
The canonical SMILES for 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide is CCCNC(=O)CCCCCC(=O)NNC.CSCCNC(=O)CCCCCC(=O)NN.
What is the InChIKey of 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide?
The InChIKey is RCLFRDYHCLZCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C10H21N3O2S/c1-3-9-13-10(15)7-5-4-6-8-11(16)14-12-2;1-16-8-7-12-9(14)5-3-2-4-6-10(15)13-11/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16);2-8,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide?
7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide has a molecular weight of 476.69 g/mol, XLogP of 1.12, 18 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide is sourced from PubChem (CID 143690477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).