<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 04:26:17 UTC</creation_date>
  <update_date>2026-09-01 04:26:17 UTC</update_date>
  <accession/>
  <common_name>N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide</common_name>
  <class>SmallMolecule</class>
  <description>N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide is a chemical compound with the formula C46H88N4O2. With an average molecular weight of 729.20 g/mol, N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C46H88N4O2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>728.6907281</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>120174-68-7</cas_registry_number>
  <smiles>CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)NCCCN(C)C)CCCCCCCC(=O)NCCCN(C)C</smiles>
  <inchi>InChI=1S/C46H88N4O2/c1-7-9-11-21-29-41-35-36-42(30-22-17-16-20-26-34-46(52)48-38-28-40-50(5)6)44(43(41)31-23-12-10-8-2)32-24-18-14-13-15-19-25-33-45(51)47-37-27-39-49(3)4/h24,32,35-36,41-44H,7-23,25-31,33-34,37-40H2,1-6H3,(H,47,51)(H,48,52)</inchi>
  <inchikey>MFUARKCVEHMGDO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>13.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>728.6907281</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)NCCCN(C)C)CCCCCCCC(=O)NCCCN(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C46H88N4O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C46H88N4O2/c1-7-9-11-21-29-41-35-36-42(30-22-17-16-20-26-34-46(52)48-38-28-40-50(5)6)44(43(41)31-23-12-10-8-2)32-24-18-14-13-15-19-25-33-45(51)47-37-27-39-49(3)4/h24,32,35-36,41-44H,7-23,25-31,33-34,37-40H2,1-6H3,(H,47,51)(H,48,52)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MFUARKCVEHMGDO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227923998&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>91864481</pubchem_compound_id>
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  <wikipidia/>
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