Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
Basic information
- CAS
294891-06-8- Standard SMILES
COC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2)cc1- InChIKey
ZWOPFGYQWPGCTC-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
- IUPAC
- methyl 4-(2-phenoxypropanoylamino)benzoate
- English name
- methyl 4-[(2-phenoxypropanoyl)amino]benzoate
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
methyl 4-[(2-phenoxypropanoyl)amino]benzoatemethyl 4-(2-phenoxypropanamido)benzoatemethyl 4-(2-phenoxypropanoylamino)benzoateOprea1_469646MLS000533280CHEMBL1570621HMS2159I03STK042170AKOS000957835AKOS016283670294891-06-8SMR000140718
Show more names
Benzoic acid, 4-[(1-oxo-2-phenoxypropyl)amino]-, methyl ester
ST090396EU-0039078AG-205/11560058SR-01000441601SR-01000441601-14-(2-PHENOXY-PROPIONYLAMINO)-BENZOIC ACID METHYL ESTER
Database identifiers
- CAS
294891-06-8- PubChem CID
- 2867477
- ChEMBL
CHEMBL1570621- EC Number
- 152-278-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 507.8 · 507.8±35.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 12.73 · 12.73±0.70(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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