N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide

Base Information

• Chemical Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
• CAS No.: 343263-95-6
• Molecular Formula: C22H26 N2 O
• Molecular Weight: 334.45
• DSSTox Substance ID: DTXSID90392749
• Nikkaji Number: J1.029.053H
• Wikidata: Q27077041
• Pharos Ligand ID: V8Z9TBSD9R5R
• ChEMBL ID: CHEMBL1327247
• Mol file: 343263-95-6.mol

Synonyms:DH 97;DH97;N-pentanoyl-2-benzyltryptamine

Chemical Property of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide

Chemical Property:

• PSA: 44.89000
• LogP: 4.99850
• Storage Temp.: Store at RT
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 334.204513457
• Heavy Atom Count: 25
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

DH 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
• Description: DH 97 is an antagonist of melatonin receptor 2 (MT2; Kis = 252 and 1,100 for human MT2 and MT1 receptors, respectively).