<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:11:52 UTC</creation_date>
  <update_date>2026-08-19 17:52:20 UTC</update_date>
  <accession/>
  <common_name>LAUROYL DIETHANOLAMIDE</common_name>
  <class>SmallMolecule</class>
  <description>LAUROYL DIETHANOLAMIDE is an organic compound with the formula C16H33NO3 and an average molecular weight of 287.44 g/mol. LAUROYL DIETHANOLAMIDE belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This substance is classified within the superclass of lipids and lipid-like molecules.

In industrial applications, the compound serves several roles and uses, functioning as a surfactant (surface active agent), an anti-static agent, a viscosity modifier, a foamant, and a cleaning agent. It has been identified in 27 recorded sources. These include electrical and electronic equipment, such as amplifiers, antennas, coils, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, along with 12 other related items. It is also found in household cleaning and consumer products, specifically in soap detergents, bleaching agents, soap dispensers, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, it is associated with food, food processing, and cookware, appearing in food contact materials, food preservation, and the preparation of vinegar, wine, or sparkling wine. The compound is also recorded in drinking water and water supply systems. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Lauramide DEA</synonym>
    <synonym>Lauryl diethanolamide</synonym>
    <synonym>N,N-bis(2-hydroxyethyl)dodecanamide</synonym>
    <synonym>N,N-Bis(2-hydroxyethyl)dodecanamide</synonym>
    <synonym>N,N-Di(2-hydroxyethyl)lauramide</synonym>
  </synonyms>
  <chemical_formula>C16H33NO3</chemical_formula>
  <average_molecular_weight>287.4381</average_molecular_weight>
  <monisotopic_moleculate_weight>287.246043927</monisotopic_moleculate_weight>
  <iupac_name>N,N-bis(2-hydroxyethyl)dodecanamide</iupac_name>
  <traditional_iupac>N,N-bis(2-hydroxyethyl)dodecanamide</traditional_iupac>
  <cas_registry_number>120-40-1</cas_registry_number>
  <smiles>CCCCCCCCCCCC(=O)N(CCO)CCO</smiles>
  <inchi>InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3</inchi>
  <inchikey>AOMUHOFOVNGZAN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty amides</sub_class>
    <direct_parent>N-acyl amines</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkanolamines</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Tertiary carboxylic acid amides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkanolamine</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxamide group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>N-acyl-amine</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Tertiary carboxylic acid amide</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.67</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.11</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.25e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>15.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-0.064</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N,N-bis(2-hydroxyethyl)dodecanamide</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>287.4381</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>287.246043927</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCC(=O)N(CCO)CCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H33NO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AOMUHOFOVNGZAN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>60.77</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>82.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>36.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3aae560&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8430</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8123</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
