About N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530037) has the molecular formula C10H19N3O5
and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide.
Molecular Properties
| Compound Name | N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide |
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| PubChem CID | 108530037 |
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| Molecular Formula | C10H19N3O5 |
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| Molecular Weight | 261.28 g/mol |
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| Exact Mass | 261.13 |
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| IUPAC Name | N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide |
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| SMILES | COC(CNC(=O)C(=O)NCCNC(C)=O)OC |
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| InChI | InChI=1S/C10H19N3O5/c1-7(14)11-4-5-12-9(15)10(16)13-6-8(17-2)18-3/h8H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16) |
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| InChIKey | WVINRUXMTYHPSI-UHFFFAOYSA-N |
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| XLogP | -2.03 |
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| TPSA | 105.76 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 18 |
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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 | 261.28 |
| LogP ≤ 5 | -2.03 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide (CID 108530037) is N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)NCCNC(C)=O)OC.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The InChIKey is WVINRUXMTYHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-7(14)11-4-5-12-9(15)10(16)13-6-8(17-2)18-3/h8H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide has a molecular weight of 261.28 g/mol, XLogP of -2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).