N,2,3-Trimethyl-2-isopropylbutamide - Moligand™, ≥98%(GC) , Activator of TRPM8, CAS No.51115-67-4, Activator of TRPM8

CAS: 51115-67-4 Cat. No.: I157614 Molecular Weight: 171.28 EC Number: 256-974-4

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

2-ISOPROPYL-N,2,3-TRIMETHYLBUTYRAMIDE [FHFI] | FEMA NO. 3804 | MFCD00130070 | n,2,3-trimethyl-2-(1-methylethyl)-butanamide | D81995 | GTPL2474 | Methyl diisopropyl propionamide | N,2,3-Trimethyl-2-isopropylbutanamide | UNII-6QOP5A9489 | Butanamide, N,2,3-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-ISOPROPYL-N, 2, 3-TRIMETHYLBUTYRAMIDE [FHFI] | FEMA NO. 3804 | MFCD00130070 | n, 2, 3-trimethyl-2-(1-methylethyl)-butanamide | D81995 | GTPL2474 | Methyl diisopropyl propionamide | N, 2, 3-Trimethyl-2-isopropylbutanamide | UNII-6QOP5A9489 | Butanamide, N, 2, 3-

Specifications & Purity

Moligand™, ≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPM8

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183676
• Canonical Smiles: CC(C)C(C)(C(C)C)C(=O)NC
• IUPAC Name: N,2,3-trimethyl-2-propan-2-ylbutanamide
• InChIKey: RWAXQWRDVUOOGG-UHFFFAOYSA-N
• INCHI: 1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)
• Isomeric SMILES: CC(C)C(C)(C(C)C)C(=O)NC
• Molecular Weight: 171.28
• Reaxy-Rn: 9042734
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9042734&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

Associated Targets(Human)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (1 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Boil Point(°C): 85 °C/0.4 mmHg
• Melt Point(°C): 64 °C
• Molecular Weight: 171.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 171.162 Da
• Monoisotopic Mass: 171.162 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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

References

1. Hao Li, Qiong Wu, Ying Liu, Jinrong Bao.  (2023)  Acidity Quantification and Structure Analysis of Amide-AlCl3 Liquid Coordination Complexes for C4 Alkylation Catalysis.  MOLECULES,  28  (23): (7857).  [PMID:38067586] [10.3390/molecules28237857]

2. Tinghao Chen, Chenfeng Hua, Chengjie Ma, Bin Peng, Pingping Shang, Ge Zhao, Quanping Yan, Fuwei Xie.  (2025)  Method for simultaneous determination of three cooling agents in aerosols by GC–MS.  Frontiers in Chemistry,      [PMID:41245247] [10.3389/fchem.2025.1699107]