Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007416

Phytochemical name: N-(2-Hydroxyethyl)dodecanamide

Synonymous chemical names:
amisol lde

External chemical identifiers:
CID:CID_8899, ChEMBL:CHEMBL246914, ChEBI:CHEBI:85263, ZINC:ZINC000043587537, FDASRS:098P2IGT76, SureChEMBL:SCHEMBL679082, MolPort-001-836-148

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)NCCO

InChI:
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17)

InChIKey:
QZXSMBBFBXPQHI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)NCCO

Functional groups:
CO, CNC(C)=O

Link to spectral information:
MSBNK-UFZ-UP000180, MSBNK-UFZ-UP000178, MSBNK-UFZ-UP000176, MSBNK-UFZ-UP000159, MSBNK-UFZ-UP000157, MSBNK-UFZ-UP000155, MSBNK-UFZ-UP000136, MSBNK-UFZ-UP000134, MSBNK-UFZ-UP000132, MSBNK-UFZ-UP000112, MSBNK-UFZ-UP000108, MSBNK-UFZ-UP000110, MSBNK-UFZ-UP000084, MSBNK-UFZ-UP000082, MSBNK-UFZ-UP000059, MSBNK-UFZ-UP000057, MSBNK-UFZ-UP000055, MSBNK-UFZ-UP000032, MSBNK-UFZ-UP000030, MSBNK-UFZ-UP000028, MSBNK-UFZ-UP000005, MSBNK-UFZ-UP000003, MSBNK-UFZ-UP000001, MSBNK-UFZ-UP000086

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboximidic acids and derivatives

ClassyFire Subclass: Carboximidic acids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl ethanolamines (endocannabinoids)

NP-Likeness score: -0.105

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Chemical structure download