Basic information
- CAS
302549-69-5- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1- InChIKey
QKFLCYJNSJOHBB-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- 4-(2-(2-Isopropyl-5-methylphenoxy)acetamido)benzamide
- IUPAC
- 4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
Names & synonyms
302549-69-54-(2-(2-isopropyl-5-methylphenoxy)acetamido)benzamide4-[[2-[5-Methyl-2-(1-methylethyl)phenoxy]acetyl]amino]benzamide4-{2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]ACETAMIDO}BENZAMIDEF0910-0804ZINC00116231Oprea1_150848Oprea1_5584464-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamideDTXSID501175384SMSSF-0062127STL355903
Show more names
AKOS000928160ST030197AB00281504-02SR-01000422329SR-01000422329-14-({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}amino)benzamide4-{2-[5-methyl-2-(methylethyl)phenoxy]acetylamino}benzamidep-{[(2-isopropyl-5-methylphenoxy)methyl]carbonylamino}benzamide
Database identifiers
- CAS
302549-69-5- PubChem CID
- 717550
- DTXSID
DTXSID501175384- EC Number
- 144-493-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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