About N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide (PubChem CID 21059343) has the molecular formula C23H46N6O9
and a molecular weight of 550.65 g/mol. Its IUPAC name is N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide.
Molecular Properties
| Compound Name | N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide |
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| PubChem CID | 21059343 |
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| Molecular Formula | C23H46N6O9 |
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| Molecular Weight | 550.65 g/mol |
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| Exact Mass | 550.33 |
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| IUPAC Name | N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide |
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| SMILES | COCCNC(=O)CCC(=O)N(CC(=O)NCCOCCOCCN)CC(=O)NCCOCCOCCN |
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| InChI | InChI=1S/C23H46N6O9/c1-34-11-6-26-20(30)2-3-23(33)29(18-21(31)27-7-12-37-16-14-35-9-4-24)19-22(32)28-8-13-38-17-15-36-10-5-25/h2-19,24-25H2,1H3,(H,26,30)(H,27,31)(H,28,32) |
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| InChIKey | DUCSEKOVAJVHHZ-UHFFFAOYSA-N |
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| XLogP | -3.43 |
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| TPSA | 205.80 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 26 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 550.65 |
| LogP ≤ 5 | -3.43 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?
The IUPAC name of N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide (CID 21059343) is N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide.
What is the SMILES notation for N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?
The canonical SMILES for N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide is COCCNC(=O)CCC(=O)N(CC(=O)NCCOCCOCCN)CC(=O)NCCOCCOCCN.
What is the InChIKey of N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?
The InChIKey is DUCSEKOVAJVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O9/c1-34-11-6-26-20(30)2-3-23(33)29(18-21(31)27-7-12-37-16-14-35-9-4-24)19-22(32)28-8-13-38-17-15-36-10-5-25/h2-19,24-25H2,1H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?
N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide has a molecular weight of 550.65 g/mol, XLogP of -3.43, 26 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 21059343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).