≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC(CC)OC1C=C(CC(C1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC |
|---|---|
| IUPAC Name | ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate |
| InChIKey | IFQIYQMUGWXRFJ-RBZQAINGSA-N |
| INCHI | 1S/C26H44N2O4/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9/h10-11,18,21-24H,1-2,12-17H2,3-9H3/t22-,23+,24+/m0/s1 |
| Isomeric SMILES | CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC |
| PubChem CID | 29933404 |
| Molecular Weight | 448.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | Tertiary carboxylic acid amides |
| Alternative Parents | Enoate esters Acetamides Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acetamide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H). |
| External Descriptors | Not available |
| Molecular Weight | 448.600 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 14 |
| Exact Mass | 448.33 Da |
| Monoisotopic Mass | 448.33 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 666.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
