(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone (CED0077044)

Record Information
Version1.0
Creation Date2026-08-22 05:20:18 UTC
Update Date2026-08-22 05:20:18 UTC
SynCED IDCED0077044
Secondary Accession Numbers
  • CHEM209921
Identification
Common Name(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone
ClassSmall Molecule
Description
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone is an organic compound with the formula C25H31NO3 and an average molecular weight of 393.50 g/mol. (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is associated with one recorded source, where it is found in or released from electrical and electronic equipment, specifically amplifiers.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H31NO3
Average Molecular Mass393.500 g/mol
Monoisotopic Mass393.230 g/mol
CAS Registry Number23551-25-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
InChI KeyPNZXBMCTFUFPLR-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
691.0 Log mg/kg [390:1200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.477
Applicability Domain
0.729
Statistical Significance
0.0088
Supporting Reference Compounds
1498
E-value
68.663
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.729
Statistical Significance
0.0049
Supporting Reference Compounds
562
E-value
38.5354
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.448
Applicability Domain
0.729
Statistical Significance
0.0043
Supporting Reference Compounds
536
E-value
33.6309
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.729
Statistical Significance
0.0049
Supporting Reference Compounds
686
E-value
38.3797
Click to view 3D structureC-8 sterol isomerase ERG2P32352Baker's yeastPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.729
Statistical Significance
1.00e-05
Supporting Reference Compounds
20
E-value
0.0778492
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase structureClick to view 3D structure3-beta-hydroxysteroid-Delta(8),Delta(7)-isomeraseQ15125HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.729
Statistical Significance
4.00e-05
Supporting Reference Compounds
27
E-value
0.311397
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.437
Applicability Domain
0.729
Statistical Significance
0.0059
Supporting Reference Compounds
391
E-value
46.3203
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.435
Applicability Domain
0.729
Statistical Significance
0.0015
Supporting Reference Compounds
373
E-value
11.4438
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.426
Applicability Domain
0.729
Statistical Significance
0.0026
Supporting Reference Compounds
385
E-value
19.9294
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.729
Statistical Significance
0.0017
Supporting Reference Compounds
310
E-value
13.6236
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.729
Statistical Significance
0.0015
Supporting Reference Compounds
297
E-value
11.5995
Click to view 3D structureProtein phosphatase EYA3Q99504HumansPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.552
Statistical Significance
6.00e-05
Supporting Reference Compounds
4
E-value
0.467095
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.729
Statistical Significance
0.0106
Supporting Reference Compounds
823
E-value
82.7537
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.729
Statistical Significance
0.0156
Supporting Reference Compounds
955
E-value
121.523
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.729
Statistical Significance
0.0089
Supporting Reference Compounds
593
E-value
69.4415
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.729
Statistical Significance
0.0138
Supporting Reference Compounds
861
E-value
107.121
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.729
Statistical Significance
0.0014
Supporting Reference Compounds
266
E-value
11.2881
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.729
Statistical Significance
0.0048
Supporting Reference Compounds
506
E-value
37.4455
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.729
Statistical Significance
0.0143
Supporting Reference Compounds
707
E-value
111.48
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.729
Statistical Significance
0.0035
Supporting Reference Compounds
340
E-value
26.9358
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.729
Statistical Significance
0.0034
Supporting Reference Compounds
118
E-value
26.858
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.729
Statistical Significance
0.0052
Supporting Reference Compounds
487
E-value
40.4037
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.729
Statistical Significance
4.50e-04
Supporting Reference Compounds
104
E-value
3.50322
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.729
Statistical Significance
0.005
Supporting Reference Compounds
451
E-value
38.9246
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)
Prediction Confidence Score
0.396
Applicability Domain
0.729
Statistical Significance
0.0172
Supporting Reference Compounds
674
E-value
133.901
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available