About N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide
N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide (PubChem CID 4168467) has the molecular formula C26H50N8O6
and a molecular weight of 570.74 g/mol. Its IUPAC name is N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide.
Molecular Properties
| Compound Name | N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide |
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| PubChem CID | 4168467 |
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| Molecular Formula | C26H50N8O6 |
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| Molecular Weight | 570.74 g/mol |
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| Exact Mass | 570.39 |
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| IUPAC Name | N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide |
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| SMILES | CN(CN1CCOCC1)C(=O)N(CC(N(C)CN1CCOCC1)N(C=O)CN1CCOCC1)CN1CCOCC1 |
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| InChI | InChI=1S/C26H50N8O6/c1-27(20-29-3-11-37-12-4-29)25(34(24-35)23-32-9-17-40-18-10-32)19-33(22-31-7-15-39-16-8-31)26(36)28(2)21-30-5-13-38-14-6-30/h24-25H,3-23H2,1-2H3 |
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| InChIKey | WBEFLDMUDFNXGQ-UHFFFAOYSA-N |
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| XLogP | -1.78 |
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| TPSA | 96.98 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 13 |
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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 | 570.74 |
| LogP ≤ 5 | -1.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Analyze N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide?
The IUPAC name of N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide (CID 4168467) is N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide.
What is the SMILES notation for N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide?
The canonical SMILES for N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide is CN(CN1CCOCC1)C(=O)N(CC(N(C)CN1CCOCC1)N(C=O)CN1CCOCC1)CN1CCOCC1.
What is the InChIKey of N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide?
The InChIKey is WBEFLDMUDFNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N8O6/c1-27(20-29-3-11-37-12-4-29)25(34(24-35)23-32-9-17-40-18-10-32)19-33(22-31-7-15-39-16-8-31)26(36)28(2)21-30-5-13-38-14-6-30/h24-25H,3-23H2,1-2H3.
What are the key properties of N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide?
N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide has a molecular weight of 570.74 g/mol, XLogP of -1.78, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methyl(morpholin-4-ylmethyl)amino]-2-[[methyl(morpholin-4-ylmethyl)carbamoyl]-(morpholin-4-ylmethyl)amino]ethyl]-N-(morpholin-4-ylmethyl)formamide is sourced from PubChem (CID 4168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).