2-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide - ≥98% , CAS No.790263-79-5

CAS: 790263-79-5 Cat. No.: C995168 Molecular Weight: 356.800

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC1=CC(=C(C=C1NC(=O)C(C)Cl)OCC)N2CCOCC2
• IUPAC Name: 2-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
• InChIKey: ALZZKNXHCOMPGP-UHFFFAOYSA-N
• INCHI: 1S/C17H25ClN2O4/c1-4-23-15-11-14(20-6-8-22-9-7-20)16(24-5-2)10-13(15)19-17(21)12(3)18/h10-12H,4-9H2,1-3H3,(H,19,21)
• Molecular Weight: 356.800

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Aminophenyl ethers Anilides Phenoxy compounds N-arylamides Dialkylarylamines Aniline and substituted anilines Alkyl aryl ethers Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides Organochlorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Anilide - Aminophenyl ether - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: 356.800 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 356.15 Da
• Monoisotopic Mass: 356.15 Da
• Topological Polar Surface Area: 60.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 393.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1