2-Methylpropyl 4-[(3,4-dimethoxyphenyl)carbonylamino]benzoate
Basic information
- CAS
301306-51-4- Standard SMILES
COc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC- InChIKey
ZBINDKVHUHVXAA-UHFFFAOYSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- 2-Methylpropyl 4-[(3,4-dimethoxyphenyl)carbonylamino]benzoate
- IUPAC
- 2-methylpropyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
- English name
- 4-(3,4-Dimethoxy-benzoylamino)-benzoic acid isobutyl ester
- Molecular formula
- C20H23NO5
- Molecular weight
- 357.4
Names & synonyms
Oprea1_038979Oprea1_349164AKOS001610101ST50186200isobutyl 4-[(3,4-dimethoxybenzoyl)amino]benzoateSR-01000416161SR-01000416161-12-METHYLPROPYL 4-(3,4-DIMETHOXYBENZAMIDO)BENZOATE4-(3,4-Dimethoxy-benzoylamino)-benzoic acid isobutyl ester2-methylpropyl 4-[(3,4-dimethoxyphenyl)carbonylamino]benzoateBenzoic acid, 4-[(3,4-dimethoxybenzoyl)amino]-, 2-methylpropyl ester
Database identifiers
- CAS
301306-51-4- PubChem CID
- 985950
- EC Number
- 141-265-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 442.594 · 442.594±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.606 · 12.606±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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