About 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (PubChem CID 177240040) has the molecular formula C33H56N2O8
and a molecular weight of 608.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.
Molecular Properties
| Compound Name | 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate |
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| PubChem CID | 177240040 |
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| Molecular Formula | C33H56N2O8 |
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| Molecular Weight | 608.82 g/mol |
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| Exact Mass | 608.40 |
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| IUPAC Name | 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate |
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| SMILES | Cc1ccc(CCC(=O)N(CCOCCOCCOCCOCCOCCOC(=O)NC(C)(C)C)C2CCCCC2)cc1 |
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| InChI | InChI=1S/C33H56N2O8/c1-28-10-12-29(13-11-28)14-15-31(36)35(30-8-6-5-7-9-30)16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-32(37)34-33(2,3)4/h10-13,30H,5-9,14-27H2,1-4H3,(H,34,37) |
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| InChIKey | VOQNNDNKGTUACU-UHFFFAOYSA-N |
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| XLogP | 4.70 |
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| TPSA | 104.79 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 608.82 |
| LogP ≤ 5 | 4.70 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (CID 177240040) is 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is Cc1ccc(CCC(=O)N(CCOCCOCCOCCOCCOCCOC(=O)NC(C)(C)C)C2CCCCC2)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The InChIKey is VOQNNDNKGTUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2O8/c1-28-10-12-29(13-11-28)14-15-31(36)35(30-8-6-5-7-9-30)16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-32(37)34-33(2,3)4/h10-13,30H,5-9,14-27H2,1-4H3,(H,34,37).
What are the key properties of 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate has a molecular weight of 608.82 g/mol, XLogP of 4.70, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 177240040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).