About 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide
2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide (PubChem CID 102291201) has the molecular formula C37H64N8O14
and a molecular weight of 844.96 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide.
Molecular Properties
| Compound Name | 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide |
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| PubChem CID | 102291201 |
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| Molecular Formula | C37H64N8O14 |
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| Molecular Weight | 844.96 g/mol |
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| Exact Mass | 844.45 |
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| IUPAC Name | 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide |
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| SMILES | C#CCN(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(N)=O)C(C)=O |
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| InChI | InChI=1S/C37H64N8O14/c1-9-10-39(30(2)46)24-32(48)41(12-18-55-4)26-34(50)43(14-20-57-6)28-36(52)45(16-22-59-8)29-37(53)44(15-21-58-7)27-35(51)42(13-19-56-5)25-33(49)40(11-17-54-3)23-31(38)47/h1H,10-29H2,2-8H3,(H2,38,47) |
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| InChIKey | IHWIJFULJZXWIM-UHFFFAOYSA-N |
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| XLogP | -4.20 |
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| TPSA | 240.64 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 33 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 844.96 |
| LogP ≤ 5 | -4.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Analyze 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide (CID 102291201) is 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide is C#CCN(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(N)=O)C(C)=O.
What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?
The InChIKey is IHWIJFULJZXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64N8O14/c1-9-10-39(30(2)46)24-32(48)41(12-18-55-4)26-34(50)43(14-20-57-6)28-36(52)45(16-22-59-8)29-37(53)44(15-21-58-7)27-35(51)42(13-19-56-5)25-33(49)40(11-17-54-3)23-31(38)47/h1H,10-29H2,2-8H3,(H2,38,47).
What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?
2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide has a molecular weight of 844.96 g/mol, XLogP of -4.20, 33 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl(prop-2-ynyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 102291201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).