N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide , CAS No.315712-29-9

CAS: 315712-29-9 Cat. No.: N1331539 Formula: C₁₅H₂₁NO₃ Peso molecolare: 263.33

Storage

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Specifications

Condizioni di conservazione di stoccaggio

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Spedito in

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Nomi e identificatori

• Sorrisi canonici: COC1=CC(=C(C=C1)OC)NC(=O)C2CCCCC2
• IUPAC Name: N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
• InChIKey: BVAITUYABNDCPN-UHFFFAOYSA-N
• INCHI: 1S/C15H21NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,17)
• Peso molecolare: 263.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Anilides Phenoxy compounds N-arylamides Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - 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
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 263.330 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 263.152 Da
• Monoisotopic Mass: 263.152 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 289.000
• 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