About (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide
(Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide (PubChem CID 122521185) has the molecular formula C26H46N2O12
and a molecular weight of 578.66 g/mol. Its IUPAC name is (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide.
Molecular Properties
| Compound Name | (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide |
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| PubChem CID | 122521185 |
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| Molecular Formula | C26H46N2O12 |
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| Molecular Weight | 578.66 g/mol |
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| Exact Mass | 578.31 |
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| IUPAC Name | (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide |
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| SMILES | O=C/C=C\C(=O)NCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC=O |
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| InChI | InChI=1S/C26H46N2O12/c29-7-1-3-25(31)27-5-4-26(32)28-6-10-34-12-14-36-16-18-38-20-22-40-24-23-39-21-19-37-17-15-35-13-11-33-9-2-8-30/h1,3,7-8H,2,4-6,9-24H2,(H,27,31)(H,28,32)/b3-1- |
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| InChIKey | XCIYVAZSTQBLOC-IWQZZHSRSA-N |
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| XLogP | -0.91 |
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| TPSA | 166.18 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 32 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 578.66 |
| LogP ≤ 5 | -0.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Analyze (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide?
The IUPAC name of (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide (CID 122521185) is (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide.
What is the SMILES notation for (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide?
The canonical SMILES for (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide is O=C/C=C\C(=O)NCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC=O.
What is the InChIKey of (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide?
The InChIKey is XCIYVAZSTQBLOC-IWQZZHSRSA-N. The full InChI is InChI=1S/C26H46N2O12/c29-7-1-3-25(31)27-5-4-26(32)28-6-10-34-12-14-36-16-18-38-20-22-40-24-23-39-21-19-37-17-15-35-13-11-33-9-2-8-30/h1,3,7-8H,2,4-6,9-24H2,(H,27,31)(H,28,32)/b3-1-.
What are the key properties of (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide?
(Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide has a molecular weight of 578.66 g/mol, XLogP of -0.91, 32 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-N-[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propyl]but-2-enamide is sourced from PubChem (CID 122521185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).