About 4-ethyl-N'-nonan-5-ylbenzohydrazide
4-ethyl-N'-nonan-5-ylbenzohydrazide (PubChem CID 42631076) has the molecular formula C18H30N2O
and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-ethyl-N'-nonan-5-ylbenzohydrazide.
Molecular Properties
| Compound Name | 4-ethyl-N'-nonan-5-ylbenzohydrazide |
| PubChem CID | 42631076 |
| Molecular Formula | C18H30N2O |
| Molecular Weight | 290.45 g/mol |
| Exact Mass | 290.24 |
| IUPAC Name | 4-ethyl-N'-nonan-5-ylbenzohydrazide |
| SMILES | CCCCC(CCCC)NNC(=O)c1ccc(CC)cc1 |
| InChI | InChI=1S/C18H30N2O/c1-4-7-9-17(10-8-5-2)19-20-18(21)16-13-11-15(6-3)12-14-16/h11-14,17,19H,4-10H2,1-3H3,(H,20,21) |
| InChIKey | ATAILSGXAMMNNM-UHFFFAOYSA-N |
| XLogP | 4.23 |
| TPSA | 41.13 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 290.45 |
| LogP ≤ 5 | 4.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of 4-ethyl-N'-nonan-5-ylbenzohydrazide (CID 42631076) is 4-ethyl-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for 4-ethyl-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)NNC(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N'-nonan-5-ylbenzohydrazide?
The InChIKey is ATAILSGXAMMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-9-17(10-8-5-2)19-20-18(21)16-13-11-15(6-3)12-14-16/h11-14,17,19H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-N'-nonan-5-ylbenzohydrazide?
4-ethyl-N'-nonan-5-ylbenzohydrazide has a molecular weight of 290.45 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42631076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).