Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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 | COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1 |
|---|---|
| IUPAC Name | N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide |
| InChIKey | MUQOTEHRXIKHKR-UHFFFAOYSA-N |
| INCHI | 1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23) |
| Isomeric SMILES | CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)CC3=CC=CC=C3 |
| PubChem CID | 129776 |
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 - Acetamides |
| Direct Parent | N-acetyl-2-arylethylamines |
| Alternative Parents | 3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acetyl-2-arylethylamine - 3-alkylindole - Indole - Indole or derivatives - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine. |
| External Descriptors | Not available |
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| Molecular Weight | 322.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 322.168 Da |
| Monoisotopic Mass | 322.168 Da |
| Topological Polar Surface Area | 54.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
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