Methyl 4-(((2-isopropylphenoxy)acetyl)amino)benzoate
Basic information
- CAS
304890-54-8- Standard SMILES
COC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1- InChIKey
MHXQKFMANQCITN-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- Methyl 4-(((2-isopropylphenoxy)acetyl)amino)benzoate
- IUPAC
- methyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
- English name
- Methyl 4-(((2-isopropylphenoxy)acetyl)amino)benzoate
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.38
Names & synonyms
methyl 4-{[(2-isopropylphenoxy)acetyl]amino}benzoateMETHYL 4-(((2-ISOPROPYLPHENOXY)ACETYL)AMINO)BENZOATECBMicro_032228MixCom6_001892Oprea1_098922SCHEMBL21729895AKOS002274261ST030161BIM-0032262.P001SR-01000219394SR-01000219394-1methyl 4-{2-[2-(methylethyl)phenoxy]acetylamino}benzoate
Show more names
Benzoic acid, 4-[[2-[2-(1-methylethyl)phenoxy]acetyl]amino]-, methyl ester
Database identifiers
- CAS
304890-54-8- PubChem CID
- 725901
- EC Number
- 144-737-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 530.481 · 530.481±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.77 · 12.770±0.70(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…