N-Behenoyl-5-hydroxytryptamine
Basic information
- CAS
21249-35-4- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12- InChIKey
XNISEOLHGQOJHH-UHFFFAOYSA-N- Molecular formula
- C32H54N2O2
- Average molar mass
- 498.8 g/mol
- Monoisotopic mass
- 498.41852897
Overview
Scorodocarpine A has been reported in Scorodocarpus borneensis with data available.
Names & identifiers
- Preferred name
- N-Behenoyl-5-hydroxytryptamine
- IUPAC
- N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosanamide
Names & synonyms
Scorodocarpine A21249-35-4N-Behenoyl-5-hydroxytryptamineBehenylserotoninN-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]docosanamideN-behenoyl-5-hydroxytryptamideSCHEMBL1746356Behemic acid 5-hydroxytryptamideDTXSID90175498XNISEOLHGQOJHH-UHFFFAOYSA-NN-behenylserotonin; Scorodocarpine ALMFA08020351
Show more names
Docosanamide, N-(2-(5-hydroxyindol-3-yl)ethyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-docosanamideN-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]docosanamide #
Database identifiers
- CAS
21249-35-4- PubChem CID
- 179356
- DTXSID
DTXSID90175498- Nikkaji
- J1.690.798G
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
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Related reactions
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Compound notes
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