N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide - ≥95% , CAS No.7056-72-6

CAS: 7056-72-6 Cat. No.: N1071153 Peso molecular: 314.340

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2OC
• IUPAC Name: N,N'-bis(2-methoxyphenyl)propanediamide
• InChIKey: PJWNNDDRRUKOFZ-UHFFFAOYSA-N
• INCHI: 1S/C17H18N2O4/c1-22-14-9-5-3-7-12(14)18-16(20)11-17(21)19-13-8-4-6-10-15(13)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
• Peso molecular: 314.340

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Methoxyanilines Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers 1,3-dicarbonyl compounds Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - 1,3-dicarbonyl compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Propiedades químicas y físicas

• Peso molecular: 314.340 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 314.127 Da
• Monoisotopic Mass: 314.127 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 366.000
• 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