About N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide
N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide (PubChem CID 88954940) has the molecular formula C23H46N6O4
and a molecular weight of 470.66 g/mol. Its IUPAC name is N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide.
Molecular Properties
| Compound Name | N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide |
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| PubChem CID | 88954940 |
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| Molecular Formula | C23H46N6O4 |
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| Molecular Weight | 470.66 g/mol |
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| Exact Mass | 470.36 |
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| IUPAC Name | N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide |
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| SMILES | CNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O |
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| InChI | InChI=1S/C23H46N6O4/c1-17(28-32)22(3,4)26-15-12-19(13-16-27-23(5,6)18(2)29-33)11-14-25-21(31)10-8-9-20(30)24-7/h19,26-27,32-33H,8-16H2,1-7H3,(H,24,30)(H,25,31)/b28-17-,29-18- |
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| InChIKey | IKIXUIAGRHKNIY-SZVCAHDZSA-N |
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| XLogP | 2.24 |
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| TPSA | 147.44 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 470.66 |
| LogP ≤ 5 | 2.24 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide?
The IUPAC name of N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide (CID 88954940) is N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide.
What is the SMILES notation for N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide?
The canonical SMILES for N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide is CNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O.
What is the InChIKey of N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide?
The InChIKey is IKIXUIAGRHKNIY-SZVCAHDZSA-N. The full InChI is InChI=1S/C23H46N6O4/c1-17(28-32)22(3,4)26-15-12-19(13-16-27-23(5,6)18(2)29-33)11-14-25-21(31)10-8-9-20(30)24-7/h19,26-27,32-33H,8-16H2,1-7H3,(H,24,30)(H,25,31)/b28-17-,29-18-.
What are the key properties of N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide?
N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide has a molecular weight of 470.66 g/mol, XLogP of 2.24, 17 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]-N-methylpentanediamide is sourced from PubChem (CID 88954940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).