N-(4-Amino-2-methoxyphenyl)-2-methoxyacetamide hydrochloride , CAS No.1224167-35-4

CAS: 1224167-35-4 Cat. No.: N937713 Molecular Weight: 246.690

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: COCC(=O)NC1=C(C=C(C=C1)N)OC.Cl
• IUPAC Name: N-(4-amino-2-methoxyphenyl)-2-methoxyacetamide;hydrochloride
• InChIKey: BSNFSONICKPNEU-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O3.ClH/c1-14-6-10(13)12-8-4-3-7(11)5-9(8)15-2;/h3-5H,6,11H2,1-2H3,(H,12,13);1H
• Molecular Weight: 246.690

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Primary amines Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 246.690 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.077 Da
• Monoisotopic Mass: 246.077 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 211.000
• 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: 2

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