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N-(4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide , CAS No.N668675
Molecular Weight: 323.3
PubChem CID:
2147601
Basic Description
Synonyms
N-(4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide | N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamide | MLS000523544 | CHEBI:107775 | HMS2353C10 | 5-Phenoxymethyl-furan-2-carboxylic acid (4-methoxy-phenyl)-amide | STK983805 | AKOS000629667 |
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides - Furanilides
Direct Parent
2-furanilides
Alternative Parents
Methoxyanilines Phenoxy compounds Methoxybenzenes Furoic acid and derivatives Anisoles 2-heteroaryl carboxamides Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-furanilide - Methoxyaniline - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-(4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
INCHI
InChI=1S/C19H17NO4/c1-22-15-9-7-14(8-10-15)20-19(21)18-12-11-17(24-18)13-23-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,21)
InChIKey
VSUUINVWYMYQJO-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3
Isomeric SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3
PubChem CID
2147601
Molecular Weight
323.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
323.300 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
323.116 Da
Monoisotopic Mass
323.116 Da
Topological Polar Surface Area
60.700 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
389.000
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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