About (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
(3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 134188878) has the molecular formula C19H28N2O2
and a molecular weight of 316.45 g/mol. Its IUPAC name is (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
Molecular Properties
| Compound Name | (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide |
|---|
| PubChem CID | 134188878 |
|---|
| Molecular Formula | C19H28N2O2 |
|---|
| Molecular Weight | 316.45 g/mol |
|---|
| Exact Mass | 316.22 |
|---|
| IUPAC Name | (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide |
|---|
| SMILES | C=c1cc(C)c(C(=O)NCCOC)c/c1=C/N(C)CC1CCC1 |
|---|
| InChI | InChI=1S/C19H28N2O2/c1-14-10-15(2)18(19(22)20-8-9-23-4)11-17(14)13-21(3)12-16-6-5-7-16/h10-11,13,16H,1,5-9,12H2,2-4H3,(H,20,22)/b17-13- |
|---|
| InChIKey | NEFLVBBWPGZMMP-LGMDPLHJSA-N |
|---|
| XLogP | 1.25 |
|---|
| TPSA | 41.57 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 23 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 316.45 |
| LogP ≤ 5 | 1.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide 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 (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 134188878) is (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=c1cc(C)c(C(=O)NCCOC)c/c1=C/N(C)CC1CCC1.
What is the InChIKey of (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is NEFLVBBWPGZMMP-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-10-15(2)18(19(22)20-8-9-23-4)11-17(14)13-21(3)12-16-6-5-7-16/h10-11,13,16H,1,5-9,12H2,2-4H3,(H,20,22)/b17-13-.
What are the key properties of (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
(3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134188878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).