About N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide (PubChem CID 87613285) has the molecular formula C10H14N2O3
and a molecular weight of 210.23 g/mol. Its IUPAC name is N-hydroxy-4-[2-(methylamino)ethoxy]benzamide.
Molecular Properties
| Compound Name | N-hydroxy-4-[2-(methylamino)ethoxy]benzamide |
| PubChem CID | 87613285 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.10 |
| IUPAC Name | N-hydroxy-4-[2-(methylamino)ethoxy]benzamide |
| SMILES | CNCCOc1ccc(C(=O)NO)cc1 |
| InChI | InChI=1S/C10H14N2O3/c1-11-6-7-15-9-4-2-8(3-5-9)10(13)12-14/h2-5,11,14H,6-7H2,1H3,(H,12,13) |
| InChIKey | GGRBIWHCCQARMZ-UHFFFAOYSA-N |
| XLogP | 0.40 |
| TPSA | 70.59 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 210.23 |
| LogP ≤ 5 | 0.40 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-hydroxy-4-[2-(methylamino)ethoxy]benzamide?
The IUPAC name of N-hydroxy-4-[2-(methylamino)ethoxy]benzamide (CID 87613285) is N-hydroxy-4-[2-(methylamino)ethoxy]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-(methylamino)ethoxy]benzamide?
The canonical SMILES for N-hydroxy-4-[2-(methylamino)ethoxy]benzamide is CNCCOc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[2-(methylamino)ethoxy]benzamide?
The InChIKey is GGRBIWHCCQARMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-6-7-15-9-4-2-8(3-5-9)10(13)12-14/h2-5,11,14H,6-7H2,1H3,(H,12,13).
What are the key properties of N-hydroxy-4-[2-(methylamino)ethoxy]benzamide?
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide has a molecular weight of 210.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(methylamino)ethoxy]benzamide is sourced from PubChem (CID 87613285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).