About (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide
(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide (PubChem CID 142957795) has the molecular formula C10H18N2O3
and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide.
Molecular Properties
| Compound Name | (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide |
| PubChem CID | 142957795 |
| Molecular Formula | C10H18N2O3 |
| Molecular Weight | 214.26 g/mol |
| Exact Mass | 214.13 |
| IUPAC Name | (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide |
| SMILES | C/C=C(/C)C(=O)NCCNC(=O)COC |
| InChI | InChI=1S/C10H18N2O3/c1-4-8(2)10(14)12-6-5-11-9(13)7-15-3/h4H,5-7H2,1-3H3,(H,11,13)(H,12,14)/b8-4- |
| InChIKey | ODXRNIAMNOCLSM-YWEYNIOJSA-N |
| XLogP | -0.17 |
| TPSA | 67.43 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.26 |
| LogP ≤ 5 | -0.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide (CID 142957795) is (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide is C/C=C(/C)C(=O)NCCNC(=O)COC.
What is the InChIKey of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
The InChIKey is ODXRNIAMNOCLSM-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-8(2)10(14)12-6-5-11-9(13)7-15-3/h4H,5-7H2,1-3H3,(H,11,13)(H,12,14)/b8-4-.
What are the key properties of (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide?
(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide has a molecular weight of 214.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide is sourced from PubChem (CID 142957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).