About N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide
N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide (PubChem CID 9181877) has the molecular formula C17H20N2O2
and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide.
Molecular Properties
| Compound Name | N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide |
| PubChem CID | 9181877 |
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.36 g/mol |
| Exact Mass | 284.15 |
| IUPAC Name | N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide |
| SMILES | CCN(NC(=O)c1cccc(OC)c1)c1ccc(C)cc1 |
| InChI | InChI=1S/C17H20N2O2/c1-4-19(15-10-8-13(2)9-11-15)18-17(20)14-6-5-7-16(12-14)21-3/h5-12H,4H2,1-3H3,(H,18,20) |
| InChIKey | YWAVUSJRUGZGIW-UHFFFAOYSA-N |
| XLogP | 3.17 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 284.36 |
| LogP ≤ 5 | 3.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide?
The IUPAC name of N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide (CID 9181877) is N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide?
The canonical SMILES for N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide is CCN(NC(=O)c1cccc(OC)c1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide?
The InChIKey is YWAVUSJRUGZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-19(15-10-8-13(2)9-11-15)18-17(20)14-6-5-7-16(12-14)21-3/h5-12H,4H2,1-3H3,(H,18,20).
What are the key properties of N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide?
N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide has a molecular weight of 284.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide is sourced from PubChem (CID 9181877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).