About N'-acetyl-2-phenoxypropanehydrazide
N'-acetyl-2-phenoxypropanehydrazide (PubChem CID 43011734) has the molecular formula C11H14N2O3
and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-acetyl-2-phenoxypropanehydrazide.
Molecular Properties
| Compound Name | N'-acetyl-2-phenoxypropanehydrazide |
| PubChem CID | 43011734 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.24 g/mol |
| Exact Mass | 222.10 |
| IUPAC Name | N'-acetyl-2-phenoxypropanehydrazide |
| SMILES | CC(=O)NNC(=O)C(C)Oc1ccccc1 |
| InChI | InChI=1S/C11H14N2O3/c1-8(11(15)13-12-9(2)14)16-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)(H,13,15) |
| InChIKey | IFZRKMCUPGNWKB-UHFFFAOYSA-N |
| XLogP | 0.62 |
| TPSA | 67.43 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 222.24 |
| LogP ≤ 5 | 0.62 |
| H-Bond Donors ≤ 5 | 2 |
| 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'-acetyl-2-phenoxypropanehydrazide?
The IUPAC name of N'-acetyl-2-phenoxypropanehydrazide (CID 43011734) is N'-acetyl-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-acetyl-2-phenoxypropanehydrazide?
The canonical SMILES for N'-acetyl-2-phenoxypropanehydrazide is CC(=O)NNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N'-acetyl-2-phenoxypropanehydrazide?
The InChIKey is IFZRKMCUPGNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(15)13-12-9(2)14)16-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-acetyl-2-phenoxypropanehydrazide?
N'-acetyl-2-phenoxypropanehydrazide has a molecular weight of 222.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-phenoxypropanehydrazide is sourced from PubChem (CID 43011734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).