About 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4143910) has the molecular formula C26H33NO7
and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
Molecular Properties
| Compound Name | 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide |
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| PubChem CID | 4143910 |
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| Molecular Formula | C26H33NO7 |
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| Molecular Weight | 471.55 g/mol |
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| Exact Mass | 471.23 |
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| IUPAC Name | 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide |
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| SMILES | CCOC1OC(C(=O)Nc2ccccc2O)=CC(c2ccccc2)C1CCOCCOCCO |
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| InChI | InChI=1S/C26H33NO7/c1-2-33-26-20(12-14-31-16-17-32-15-13-28)21(19-8-4-3-5-9-19)18-24(34-26)25(30)27-22-10-6-7-11-23(22)29/h3-11,18,20-21,26,28-29H,2,12-17H2,1H3,(H,27,30) |
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| InChIKey | HGVXYSNQOSQQRC-UHFFFAOYSA-N |
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| XLogP | 3.42 |
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| TPSA | 106.48 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 471.55 |
| LogP ≤ 5 | 3.42 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4143910) is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)Nc2ccccc2O)=CC(c2ccccc2)C1CCOCCOCCO.
What is the InChIKey of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HGVXYSNQOSQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO7/c1-2-33-26-20(12-14-31-16-17-32-15-13-28)21(19-8-4-3-5-9-19)18-24(34-26)25(30)27-22-10-6-7-11-23(22)29/h3-11,18,20-21,26,28-29H,2,12-17H2,1H3,(H,27,30).
What are the key properties of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.42, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4143910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).