About N',N'-bis(2-hydroxyethyl)oxamide
N',N'-bis(2-hydroxyethyl)oxamide (PubChem CID 18997631) has the molecular formula C6H12N2O4
and a molecular weight of 176.17 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)oxamide.
Molecular Properties
| Compound Name | N',N'-bis(2-hydroxyethyl)oxamide |
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| PubChem CID | 18997631 |
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| Molecular Formula | C6H12N2O4 |
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| Molecular Weight | 176.17 g/mol |
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| Exact Mass | 176.08 |
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| IUPAC Name | N',N'-bis(2-hydroxyethyl)oxamide |
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| SMILES | NC(=O)C(=O)N(CCO)CCO |
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| InChI | InChI=1S/C6H12N2O4/c7-5(11)6(12)8(1-3-9)2-4-10/h9-10H,1-4H2,(H2,7,11) |
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| InChIKey | AJUOPYIBDGGQOL-UHFFFAOYSA-N |
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| XLogP | -2.72 |
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| TPSA | 103.86 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 176.17 |
| LogP ≤ 5 | -2.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N',N'-bis(2-hydroxyethyl)oxamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)oxamide (CID 18997631) is N',N'-bis(2-hydroxyethyl)oxamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)oxamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)oxamide is NC(=O)C(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)oxamide?
The InChIKey is AJUOPYIBDGGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-5(11)6(12)8(1-3-9)2-4-10/h9-10H,1-4H2,(H2,7,11).
What are the key properties of N',N'-bis(2-hydroxyethyl)oxamide?
N',N'-bis(2-hydroxyethyl)oxamide has a molecular weight of 176.17 g/mol, XLogP of -2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)oxamide is sourced from PubChem (CID 18997631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).