About N-ethyl-2-hydrazinyl-N-propylbenzamide
N-ethyl-2-hydrazinyl-N-propylbenzamide (PubChem CID 62243548) has the molecular formula C12H19N3O
and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-hydrazinyl-N-propylbenzamide.
Molecular Properties
| Compound Name | N-ethyl-2-hydrazinyl-N-propylbenzamide |
| PubChem CID | 62243548 |
| Molecular Formula | C12H19N3O |
| Molecular Weight | 221.30 g/mol |
| Exact Mass | 221.15 |
| IUPAC Name | N-ethyl-2-hydrazinyl-N-propylbenzamide |
| SMILES | CCCN(CC)C(=O)c1ccccc1NN |
| InChI | InChI=1S/C12H19N3O/c1-3-9-15(4-2)12(16)10-7-5-6-8-11(10)14-13/h5-8,14H,3-4,9,13H2,1-2H3 |
| InChIKey | ILZVZHXVMAJWBY-UHFFFAOYSA-N |
| XLogP | 1.84 |
| TPSA | 58.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.30 |
| LogP ≤ 5 | 1.84 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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 N-ethyl-2-hydrazinyl-N-propylbenzamide?
The IUPAC name of N-ethyl-2-hydrazinyl-N-propylbenzamide (CID 62243548) is N-ethyl-2-hydrazinyl-N-propylbenzamide.
What is the SMILES notation for N-ethyl-2-hydrazinyl-N-propylbenzamide?
The canonical SMILES for N-ethyl-2-hydrazinyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccccc1NN.
What is the InChIKey of N-ethyl-2-hydrazinyl-N-propylbenzamide?
The InChIKey is ILZVZHXVMAJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-15(4-2)12(16)10-7-5-6-8-11(10)14-13/h5-8,14H,3-4,9,13H2,1-2H3.
What are the key properties of N-ethyl-2-hydrazinyl-N-propylbenzamide?
N-ethyl-2-hydrazinyl-N-propylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydrazinyl-N-propylbenzamide is sourced from PubChem (CID 62243548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).