About cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate
cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate (PubChem CID 11431589) has the molecular formula C27H36N4O4
and a molecular weight of 480.61 g/mol. Its IUPAC name is cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate.
Molecular Properties
| Compound Name | cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate |
|---|
| PubChem CID | 11431589 |
|---|
| Molecular Formula | C27H36N4O4 |
|---|
| Molecular Weight | 480.61 g/mol |
|---|
| Exact Mass | 480.27 |
|---|
| IUPAC Name | cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate |
|---|
| SMILES | Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCCC(=O)OC3CCCCC3)n2)c1 |
|---|
| InChI | InChI=1S/C27H36N4O4/c1-21-7-5-8-22(17-21)20-28-30-25-18-23(31-12-15-33-16-13-31)19-26(29-25)34-14-6-11-27(32)35-24-9-3-2-4-10-24/h5,7-8,17-20,24H,2-4,6,9-16H2,1H3,(H,29,30)/b28-20+ |
|---|
| InChIKey | UJFSHXYBELDWHR-VFCFBJKWSA-N |
|---|
| XLogP | 4.71 |
|---|
| TPSA | 85.28 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 480.61 |
| LogP ≤ 5 | 4.71 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate 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 cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The IUPAC name of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate (CID 11431589) is cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate.
What is the SMILES notation for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The canonical SMILES for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCCC(=O)OC3CCCCC3)n2)c1.
What is the InChIKey of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The InChIKey is UJFSHXYBELDWHR-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-21-7-5-8-22(17-21)20-28-30-25-18-23(31-12-15-33-16-13-31)19-26(29-25)34-14-6-11-27(32)35-24-9-3-2-4-10-24/h5,7-8,17-20,24H,2-4,6,9-16H2,1H3,(H,29,30)/b28-20+.
What are the key properties of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate has a molecular weight of 480.61 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate is sourced from PubChem (CID 11431589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).