About N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 91633749) has the molecular formula C33H37N5O6
and a molecular weight of 599.69 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
Molecular Properties
| Compound Name | N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide |
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| PubChem CID | 91633749 |
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| Molecular Formula | C33H37N5O6 |
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| Molecular Weight | 599.69 g/mol |
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| Exact Mass | 599.27 |
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| IUPAC Name | N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide |
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| SMILES | COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(OC)c(OC)c2)cc1 |
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| InChI | InChI=1S/C33H37N5O6/c1-41-27-12-9-25(10-13-27)32(40)37(16-15-36-17-19-44-20-18-36)23-31(39)35-33-34-28(24-7-5-4-6-8-24)22-38(33)26-11-14-29(42-2)30(21-26)43-3/h4-14,21-22H,15-20,23H2,1-3H3,(H,34,35,39) |
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| InChIKey | OVQUNADJBIUGAT-UHFFFAOYSA-N |
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| XLogP | 3.98 |
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| TPSA | 107.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 599.69 |
| LogP ≤ 5 | 3.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 91633749) is N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is OVQUNADJBIUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O6/c1-41-27-12-9-25(10-13-27)32(40)37(16-15-36-17-19-44-20-18-36)23-31(39)35-33-34-28(24-7-5-4-6-8-24)22-38(33)26-11-14-29(42-2)30(21-26)43-3/h4-14,21-22H,15-20,23H2,1-3H3,(H,34,35,39).
What are the key properties of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 599.69 g/mol, XLogP of 3.98, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 91633749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).