1-(4-Ethoxyphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione , CAS No.355115-11-6

CAS: 355115-11-6 Cat. No.: E976108 Peso molecular: 395.500

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4
• IUPAC Name: 1-(4-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
• InChIKey: UCWFVPLGCOXIMK-UHFFFAOYSA-N
• INCHI: 1S/C22H25N3O4/c1-2-29-19-9-7-18(8-10-19)25-21(26)15-20(22(25)27)23-16-3-5-17(6-4-16)24-11-13-28-14-12-24/h3-10,20,23H,2,11-15H2,1H3
• Peso molecular: 395.500

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Phenylpyrrolidines Alpha amino acids and derivatives Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Oxacycle - Secondary amine - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 395.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 395.185 Da
• Monoisotopic Mass: 395.185 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 564.000
• 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