N-[3-(7-tert-butyl-1h-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide (CED0301923)

Record Information
Version1.0
Creation Date2026-08-31 17:25:21 UTC
Update Date2026-08-31 17:25:21 UTC
Accession NumberCHEM347516
Identification
Common NameN-[3-(7-tert-butyl-1h-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide
ClassSmall Molecule
Description
N-[3-(7-tert-butyl-1h-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide is a chemical compound with the formula C31H37N5O5. With an average molecular weight of 559.70 g/mol, N-[3-(7-tert-butyl-1h-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide is a heavy molecule. This substance is found in or released from one recorded source, which is electrical and electronic equipment specifically involving cores, yokes, or armatures.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC31H37N5O5
Average Molecular MassNot Available
Monoisotopic Mass559.279 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=C3C=CC=C4C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI IdentifierInChI=1S/C31H37N5O5/c1-19-18-34(14-15-35(19)29(38)21-8-9-21)30(39)26(33-28(37)20-10-12-23(13-11-20)36(40)41)16-22-17-32-27-24(22)6-5-7-25(27)31(2,3)4/h5-7,10-13,17,19,21,26,32H,8-9,14-16,18H2,1-4H3,(H,33,37)
InChI KeyDNDVBYOVESXLDM-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3869.0Log mg/kg[2200:6900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMecAQ7DHH4Staphylococcus aureusPredicted (SEA)32.3074
Dipeptidyl peptidase 3 structureClick to view 3D structureDipeptidyl peptidase 3Q9NY33HumansPredicted (SEA)107.665
Endothelin-converting enzyme 1 structureClick to view 3D structureEndothelin-converting enzyme 1P42892HumansPredicted (SEA)121.056
Click to view 3D structureInterleukin-1 receptor antagonist proteinP25085Mus musculusPredicted (SEA)58.3869
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)1042.17
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1671.89
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)802.392
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)484.689
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)572.737
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)1708.63
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)1098.69
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)250.363
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)1105.77
Click to view 3D structureAngiotensin-converting enzymeP47820Rattus norvegicusPredicted (SEA)203.031
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)301.977
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)328.835
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)2169.11
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)376.401
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)535.447
Somatostatin receptor type 3 structureClick to view 3D structureSomatostatin receptor type 3P32745HumansPredicted (SEA)278.856
Somatostatin receptor type 1 structureClick to view 3D structureSomatostatin receptor type 1P30872HumansPredicted (SEA)226.619
Click to view 3D structureProthrombinP00735Bos taurusPredicted (SEA)382.084
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)1037.89
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)1889.01
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)1048.16
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available