HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69951663Generated: October 29, 2026
{2-[5-cyano-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl}carbamic acid tert-butyl ester
https://huagongshe.com/en/chemical/69951663
Identifiers & Physical Properties
| Molecular formula | C24H27N3O2 |
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| Average molar mass | 389.5 g/mol |
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| Monoisotopic mass | 389.21032711 g/mol |
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| SMILES | Cc1cc(C)cc(-c2[nH]c3ccc(C#N)cc3c2CCNC(=O)OC(C)(C)C)c1 |
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| InChIKey | XPKQBMIKZYVNAI-UHFFFAOYSA-N |
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| PubChem CID | 69951663 |
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Chemical & Physical Properties
| XLogP | 5.1 |
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| Topological polar surface area | 77.9 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 609 |
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![{2-[5-cyano-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl}carbamic acid tert-butyl ester molecular structure](/img/chemical/69951663.png)