About 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine
2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine (PubChem CID 160666387) has the molecular formula C36H72N4O15
and a molecular weight of 800.98 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine.
Molecular Properties
| Compound Name | 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine |
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| PubChem CID | 160666387 |
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| Molecular Formula | C36H72N4O15 |
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| Molecular Weight | 800.98 g/mol |
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| Exact Mass | 800.50 |
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| IUPAC Name | 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine |
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| SMILES | CC(=O)OCCN(CCC#N)CCOC(C)=O.COCCOCCOCCOCCN1CCOCC1.COCOCCN(CCOCOC)CCOCOC |
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| InChI | InChI=1S/C13H27NO5.C12H27NO6.C11H18N2O4/c1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;1-14-10-17-7-4-13(5-8-18-11-15-2)6-9-19-12-16-3;1-10(14)16-8-6-13(5-3-4-12)7-9-17-11(2)15/h2-13H2,1H3;4-12H2,1-3H3;3,5-9H2,1-2H3 |
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| InChIKey | RMIXJVMTGXMLMJ-UHFFFAOYSA-N |
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| XLogP | 0.49 |
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| TPSA | 187.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 19 |
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| Rotatable Bonds | 35 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 800.98 |
| LogP ≤ 5 | 0.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Analyze 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The IUPAC name of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine (CID 160666387) is 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The canonical SMILES for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine is CC(=O)OCCN(CCC#N)CCOC(C)=O.COCCOCCOCCOCCN1CCOCC1.COCOCCN(CCOCOC)CCOCOC.
What is the InChIKey of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The InChIKey is RMIXJVMTGXMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5.C12H27NO6.C11H18N2O4/c1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;1-14-10-17-7-4-13(5-8-18-11-15-2)6-9-19-12-16-3;1-10(14)16-8-6-13(5-3-4-12)7-9-17-11(2)15/h2-13H2,1H3;4-12H2,1-3H3;3,5-9H2,1-2H3.
What are the key properties of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine has a molecular weight of 800.98 g/mol, XLogP of 0.49, 35 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine is sourced from PubChem (CID 160666387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).