About 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4258280) has the molecular formula C23H35NO7
and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
Molecular Properties
| Compound Name | 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide |
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| PubChem CID | 4258280 |
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| Molecular Formula | C23H35NO7 |
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| Molecular Weight | 437.53 g/mol |
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| Exact Mass | 437.24 |
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| IUPAC Name | 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide |
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| SMILES | CCOC1OC(C(=O)Nc2ccccc2O)=CC(C(C)C)C1CCOCCOCCO |
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| InChI | InChI=1S/C23H35NO7/c1-4-30-23-17(9-11-28-13-14-29-12-10-25)18(16(2)3)15-21(31-23)22(27)24-19-7-5-6-8-20(19)26/h5-8,15-18,23,25-26H,4,9-14H2,1-3H3,(H,24,27) |
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| InChIKey | BXLWWVBIOCRDLW-UHFFFAOYSA-N |
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| XLogP | 2.91 |
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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 | 31 |
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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 | 437.53 |
| LogP ≤ 5 | 2.91 |
| 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-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4258280) is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-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-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)Nc2ccccc2O)=CC(C(C)C)C1CCOCCOCCO.
What is the InChIKey of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is BXLWWVBIOCRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO7/c1-4-30-23-17(9-11-28-13-14-29-12-10-25)18(16(2)3)15-21(31-23)22(27)24-19-7-5-6-8-20(19)26/h5-8,15-18,23,25-26H,4,9-14H2,1-3H3,(H,24,27).
What are the key properties of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.91, 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-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).