About 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene
7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene (PubChem CID 142976499) has the molecular formula C30H42N4O3
and a molecular weight of 506.69 g/mol. Its IUPAC name is 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene.
Molecular Properties
| Compound Name | 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene |
|---|
| PubChem CID | 142976499 |
|---|
| Molecular Formula | C30H42N4O3 |
|---|
| Molecular Weight | 506.69 g/mol |
|---|
| Exact Mass | 506.33 |
|---|
| IUPAC Name | 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene |
|---|
| SMILES | C/C=C(\C)NC.C=CCc1ccccc1.O=CN(CCCCCCC(=O)NO)c1ccc2[nH]ccc2c1 |
|---|
| InChI | InChI=1S/C16H21N3O3.C9H10.C5H11N/c20-12-19(10-4-2-1-3-5-16(21)18-22)14-6-7-15-13(11-14)8-9-17-15;1-2-6-9-7-4-3-5-8-9;1-4-5(2)6-3/h6-9,11-12,17,22H,1-5,10H2,(H,18,21);2-5,7-8H,1,6H2;4,6H,1-3H3/b;;5-4+ |
|---|
| InChIKey | DDQSVGSFRNOUSP-XMOYFUIDSA-N |
|---|
| XLogP | 6.13 |
|---|
| TPSA | 97.46 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 12 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 506.69 |
| LogP ≤ 5 | 6.13 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene 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 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The IUPAC name of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene (CID 142976499) is 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene.
What is the SMILES notation for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The canonical SMILES for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene is C/C=C(\C)NC.C=CCc1ccccc1.O=CN(CCCCCCC(=O)NO)c1ccc2[nH]ccc2c1.
What is the InChIKey of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The InChIKey is DDQSVGSFRNOUSP-XMOYFUIDSA-N. The full InChI is InChI=1S/C16H21N3O3.C9H10.C5H11N/c20-12-19(10-4-2-1-3-5-16(21)18-22)14-6-7-15-13(11-14)8-9-17-15;1-2-6-9-7-4-3-5-8-9;1-4-5(2)6-3/h6-9,11-12,17,22H,1-5,10H2,(H,18,21);2-5,7-8H,1,6H2;4,6H,1-3H3/b;;5-4+.
What are the key properties of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene has a molecular weight of 506.69 g/mol, XLogP of 6.13, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene is sourced from PubChem (CID 142976499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).