Basic information
- CAS
6284-00-0- Standard SMILES
CCOc1ccc(C(=O)NCC(C)C)cc1- InChIKey
CPABGRYUYDOHDX-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 4-ethoxy-N-(2-methylpropyl)benzamide
- IUPAC
- 4-ethoxy-N-(2-methylpropyl)benzamide
- English name
- 4-ethoxy-N-isobutylbenzamide
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
4-ethoxy-N-(2-methylpropyl)benzamide4-ethoxy-N-isobutylbenzamide6284-00-04-Ethoxy-N-isobutyl-benzamideNSC7151Oprea1_136640Oprea1_237599MLS000523708CHEMBL1575514Benzamide, p-ethoxy-N-isobutyl-DTXSID70978540HMS2386M14
Show more names
Benzamide, 4-ethoxy-N-(2-methylpropyl)-
NSC-7151STK043421AKOS000675265SMR000122781ST043016(4-ethoxyphenyl)-N-(2-methylpropyl)carboxamideAK-968/11781120SR-01000361750
Database identifiers
- CAS
6284-00-0- PubChem CID
- 222006
- DTXSID
DTXSID70978540- ChEMBL
CHEMBL1575514
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 366.1 · 366.1±25.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 15.36 · 15.36±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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