Basic information
- CAS
335420-67-2- Standard SMILES
CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1- InChIKey
DOPSIWQMWYSLDP-UHFFFAOYSA-N- Molecular formula
- C20H21NO6
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13688739
Names & identifiers
- Preferred name
- Dimethyl 5-[(4-propoxybenzoyl)amino]isophthalate
- IUPAC
- dimethyl 5-[(4-propoxybenzoyl)amino]benzene-1,3-dicarboxylate
- English name
- dimethyl 5-[(4-propoxybenzoyl)amino]isophthalate
- Molecular formula
- C20H21NO6
- Molecular weight
- 371.38
Names & synonyms
dimethyl 5-[(4-propoxybenzoyl)amino]isophthalateCBMicro_021913Oprea1_467695Oprea1_471380dimethyl 5-[(4-propoxybenzoyl)amino]benzene-1,3-dicarboxylateCCG-14514AKOS000627070BIM-0021946.P001dimethyl 5-(4-propoxybenzamido)isophthalateST50339175AB00103322-01AG-690/15442097
Show more names
1,3-Benzenedicarboxylic acid, 5-[(4-propoxybenzoyl)amino]-, 1,3-dimethyl ester
methyl 3-(methoxycarbonyl)-5-[(4-propoxyphenyl)carbonylamino]benzoate335420-67-2
Database identifiers
- CAS
335420-67-2- PubChem CID
- 1728608
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 461.8 · 461.8±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 12.98 · 12.98±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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