About (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
(E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 24757860) has the molecular formula C24H27N3O3
and a molecular weight of 405.50 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide |
|---|
| PubChem CID | 24757860 |
|---|
| Molecular Formula | C24H27N3O3 |
|---|
| Molecular Weight | 405.50 g/mol |
|---|
| Exact Mass | 405.21 |
|---|
| IUPAC Name | (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide |
|---|
| SMILES | CN1CCN(Cc2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)cc3)cc2)CC1 |
|---|
| InChI | InChI=1S/C24H27N3O3/c1-26-14-16-27(17-15-26)18-21-6-10-22(11-7-21)23(28)12-8-19-2-4-20(5-3-19)9-13-24(29)25-30/h2-13,30H,14-18H2,1H3,(H,25,29)/b12-8+,13-9+ |
|---|
| InChIKey | LICKSNRRUNFSPU-QHKWOANTSA-N |
|---|
| XLogP | 2.85 |
|---|
| TPSA | 72.88 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 405.50 |
| LogP ≤ 5 | 2.85 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide (CID 24757860) is (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide is CN1CCN(Cc2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)cc3)cc2)CC1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is LICKSNRRUNFSPU-QHKWOANTSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26-14-16-27(17-15-26)18-21-6-10-22(11-7-21)23(28)12-8-19-2-4-20(5-3-19)9-13-24(29)25-30/h2-13,30H,14-18H2,1H3,(H,25,29)/b12-8+,13-9+.
What are the key properties of (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(E)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 24757860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).