4-METHOXY-N-PHENYLBENZOHYDROXAMIC ACID , CAS No.13664-49-8

CAS: 13664-49-8 Cat. No.: M167095 Fórmula: C₁₄H₁₃NO₃ Peso molecular: 243.265 Número CE: 633-075-9

Synonyms

SR-01000408150 | STK499924 | BBL028260 | CBDivE_001847 | ChemDiv2_000366 | HMS1370A14 | IMEJZBWBEXZVNP-UHFFFAOYSA-N | VS-08706 | SCHEMBL837340 | N-phenyl-p-anisohydroxamic acid | A925216 | AKOS001631448 | 4-METHOXY-N-PHENYLBENZOHYDROXAMIC ACID | Oprea1_08

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SR-01000408150 | STK499924 | BBL028260 | CBDivE_001847 | ChemDiv2_000366 | HMS1370A14 | IMEJZBWBEXZVNP-UHFFFAOYSA-N | VS-08706 | SCHEMBL837340 | N-phenyl-p-anisohydroxamic acid | A925216 | AKOS001631448 | 4-METHOXY-N-PHENYLBENZOHYDROXAMIC ACID | Oprea1_08

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)O

IUPAC Name

N-hydroxy-4-methoxy-N-phenylbenzamide

InChIKey

IMEJZBWBEXZVNP-UHFFFAOYSA-N

INCHI

1S/C14H13NO3/c1-18-13-9-7-11(8-10-13)14(16)15(17)12-5-3-2-4-6-12/h2-10,17H,1H3

SMILES isoméricas

COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)O

Peso molecular

243.265

Reaxy-Rn

2132278

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2132278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: N-aryl-N-hydroxylamides Benzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - N-aryl-n-hydroxylamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Hydroxamic acid - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

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.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 243.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.09 Da
• Monoisotopic Mass: 243.09 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 268.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13664-49-8, the molecular formula is C14H13NO3, and the molecular weight is 243.265 g/mol. InChIKey IMEJZBWBEXZVNP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.