About N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135853841) has the molecular formula C26H28N6O2
and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
Molecular Properties
| Compound Name | N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide |
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| PubChem CID | 135853841 |
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| Molecular Formula | C26H28N6O2 |
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| Molecular Weight | 456.55 g/mol |
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| Exact Mass | 456.23 |
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| IUPAC Name | N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide |
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| SMILES | Cc1ccccc1/N=N/C(=N/NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1O |
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| InChI | InChI=1S/C26H28N6O2/c1-20-9-5-7-13-23(20)27-29-26(22-12-6-8-14-24(22)33)30-28-25(34)19-31-15-17-32(18-16-31)21-10-3-2-4-11-21/h2-14,33H,15-19H2,1H3,(H,28,34)/b29-27+,30-26+ |
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| InChIKey | RLQYVRLLYQBFFL-XQYJZLKBSA-N |
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| XLogP | 4.08 |
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| TPSA | 92.89 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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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 | 456.55 |
| LogP ≤ 5 | 4.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135853841) is N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is Cc1ccccc1/N=N/C(=N/NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1O.
What is the InChIKey of N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is RLQYVRLLYQBFFL-XQYJZLKBSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-20-9-5-7-13-23(20)27-29-26(22-12-6-8-14-24(22)33)30-28-25(34)19-31-15-17-32(18-16-31)21-10-3-2-4-11-21/h2-14,33H,15-19H2,1H3,(H,28,34)/b29-27+,30-26+.
What are the key properties of N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135853841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).