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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)N(C)C)C(=O)OCC)C)C |
|---|---|
| IUPAC Name | diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| InChIKey | OYGFPPGBFFWFDL-UHFFFAOYSA-N |
| INCHI | 1S/C21H28N2O4/c1-7-26-20(24)17-13(3)22-14(4)18(21(25)27-8-2)19(17)15-9-11-16(12-10-15)23(5)6/h9-12,19,22H,7-8H2,1-6H3 |
| Molecular Weight | 372.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Dihydropyridines |
| Direct Parent | Dihydropyridinecarboxylic acids and derivatives |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Secondary amine - Enamine - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 372.500 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 372.205 Da |
| Monoisotopic Mass | 372.205 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate , CAS No.21835-71-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)