About N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 66585405) has the molecular formula C31H33FN4O6
and a molecular weight of 576.63 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide.
Molecular Properties
| Compound Name | N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide |
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| PubChem CID | 66585405 |
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| Molecular Formula | C31H33FN4O6 |
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| Molecular Weight | 576.63 g/mol |
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| Exact Mass | 576.24 |
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| IUPAC Name | N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide |
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| SMILES | COc1ccc(CN2CC(=O)N(CCN3CCOCC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 |
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| InChI | InChI=1S/C31H33FN4O6/c1-40-28-11-4-23(20-35-21-29(37)36(31(35)39)13-12-34-14-16-41-17-15-34)18-27(28)30(38)33-19-22-2-7-25(8-3-22)42-26-9-5-24(32)6-10-26/h2-11,18H,12-17,19-21H2,1H3,(H,33,38) |
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| InChIKey | IIMQPJAXRRNZNF-UHFFFAOYSA-N |
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| XLogP | 3.65 |
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| TPSA | 100.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 576.63 |
| LogP ≤ 5 | 3.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide (CID 66585405) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide is COc1ccc(CN2CC(=O)N(CCN3CCOCC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is IIMQPJAXRRNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O6/c1-40-28-11-4-23(20-35-21-29(37)36(31(35)39)13-12-34-14-16-41-17-15-34)18-27(28)30(38)33-19-22-2-7-25(8-3-22)42-26-9-5-24(32)6-10-26/h2-11,18H,12-17,19-21H2,1H3,(H,33,38).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 576.63 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 66585405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).