About N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide
N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide (PubChem CID 118722741) has the molecular formula C31H35N5O3
and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide.
Molecular Properties
| Compound Name | N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide |
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| PubChem CID | 118722741 |
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| Molecular Formula | C31H35N5O3 |
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| Molecular Weight | 525.65 g/mol |
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| Exact Mass | 525.27 |
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| IUPAC Name | N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide |
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| SMILES | CN(C)CCNC(=O)C(Cc1ccc(-c2nccn2C)cc1)NC(=O)c1ccccc1OCc1ccccc1 |
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| InChI | InChI=1S/C31H35N5O3/c1-35(2)19-17-33-31(38)27(21-23-13-15-25(16-14-23)29-32-18-20-36(29)3)34-30(37)26-11-7-8-12-28(26)39-22-24-9-5-4-6-10-24/h4-16,18,20,27H,17,19,21-22H2,1-3H3,(H,33,38)(H,34,37) |
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| InChIKey | IWAIXWWOFXRIMW-UHFFFAOYSA-N |
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| XLogP | 3.68 |
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| TPSA | 88.49 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 525.65 |
| LogP ≤ 5 | 3.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide (CID 118722741) is N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide is CN(C)CCNC(=O)C(Cc1ccc(-c2nccn2C)cc1)NC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide?
The InChIKey is IWAIXWWOFXRIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-35(2)19-17-33-31(38)27(21-23-13-15-25(16-14-23)29-32-18-20-36(29)3)34-30(37)26-11-7-8-12-28(26)39-22-24-9-5-4-6-10-24/h4-16,18,20,27H,17,19,21-22H2,1-3H3,(H,33,38)(H,34,37).
What are the key properties of N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide?
N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide has a molecular weight of 525.65 g/mol, XLogP of 3.68, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenyl]-1-oxopropan-2-yl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 118722741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).