About N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide (PubChem CID 172995437) has the molecular formula C25H29N3O2
and a molecular weight of 403.53 g/mol. Its IUPAC name is N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide.
Molecular Properties
| Compound Name | N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide |
|---|
| PubChem CID | 172995437 |
|---|
| Molecular Formula | C25H29N3O2 |
|---|
| Molecular Weight | 403.53 g/mol |
|---|
| Exact Mass | 403.23 |
|---|
| IUPAC Name | N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide |
|---|
| SMILES | Cc1[nH]c2ccccc2c1CC1CCCN1[C@H](C)c1ccc(C=CC(=O)NO)cc1 |
|---|
| InChI | InChI=1S/C25H29N3O2/c1-17-23(22-7-3-4-8-24(22)26-17)16-21-6-5-15-28(21)18(2)20-12-9-19(10-13-20)11-14-25(29)27-30/h3-4,7-14,18,21,26,30H,5-6,15-16H2,1-2H3,(H,27,29)/t18-,21?/m1/s1 |
|---|
| InChIKey | XHCLPTWIEIYHKP-ITUIMRKVSA-N |
|---|
| XLogP | 4.76 |
|---|
| TPSA | 68.36 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 403.53 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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 N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]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 N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide (CID 172995437) is N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide is Cc1[nH]c2ccccc2c1CC1CCCN1[C@H](C)c1ccc(C=CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide?
The InChIKey is XHCLPTWIEIYHKP-ITUIMRKVSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-23(22-7-3-4-8-24(22)26-17)16-21-6-5-15-28(21)18(2)20-12-9-19(10-13-20)11-14-25(29)27-30/h3-4,7-14,18,21,26,30H,5-6,15-16H2,1-2H3,(H,27,29)/t18-,21?/m1/s1.
What are the key properties of N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide?
N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide has a molecular weight of 403.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[(1R)-1-[2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 172995437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).