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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 | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3 |
|---|---|
| IUPAC Name | 3,4,5-trimethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide |
| InChIKey | RPEXRHYKSFHVSX-UHFFFAOYSA-N |
| INCHI | 1S/C22H26N2O6/c1-27-18-11-14(12-19(28-2)20(18)29-3)21(25)24-17-9-5-4-8-16(17)22(26)23-13-15-7-6-10-30-15/h4-5,8-9,11-12,15H,6-7,10,13H2,1-3H3,(H,23,26)(H,24,25) |
| Molecular Weight | 414.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous amides Oxolanes Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Oxolane - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Molecular Weight | 414.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 414.179 Da |
| Monoisotopic Mass | 414.179 Da |
| Topological Polar Surface Area | 95.100 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 560.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |