About N-(2-aminoethyl)-N-(2-oxoethyl)acetamide
N-(2-aminoethyl)-N-(2-oxoethyl)acetamide (PubChem CID 21303823) has the molecular formula C6H12N2O2
and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-oxoethyl)acetamide.
Molecular Properties
| Compound Name | N-(2-aminoethyl)-N-(2-oxoethyl)acetamide |
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| PubChem CID | 21303823 |
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| Molecular Formula | C6H12N2O2 |
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| Molecular Weight | 144.17 g/mol |
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| Exact Mass | 144.09 |
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| IUPAC Name | N-(2-aminoethyl)-N-(2-oxoethyl)acetamide |
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| SMILES | CC(=O)N(CC=O)CCN |
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| InChI | InChI=1S/C6H12N2O2/c1-6(10)8(3-2-7)4-5-9/h5H,2-4,7H2,1H3 |
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| InChIKey | RWCFQCWAAIKTAT-UHFFFAOYSA-N |
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| XLogP | -1.01 |
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| TPSA | 63.40 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 10 |
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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 | 144.17 |
| LogP ≤ 5 | -1.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-aminoethyl)-N-(2-oxoethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-oxoethyl)acetamide (CID 21303823) is N-(2-aminoethyl)-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-oxoethyl)acetamide is CC(=O)N(CC=O)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-(2-oxoethyl)acetamide?
The InChIKey is RWCFQCWAAIKTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(10)8(3-2-7)4-5-9/h5H,2-4,7H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-oxoethyl)acetamide?
N-(2-aminoethyl)-N-(2-oxoethyl)acetamide has a molecular weight of 144.17 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 21303823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).