N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
Basic information
- CAS
478259-79-9- Standard SMILES
CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccccc2)c1- InChIKey
HLIYIGOVMSSKBC-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
- IUPAC
- N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
Names & synonyms
N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide478259-79-9Oprea1_178212MLS001165751CHEMBL1595512DTXSID101330679HMS2881F17MFCD02571435AKOS005101640SMR0005501438R-0346
Database identifiers
- CAS
478259-79-9- PubChem CID
- 3751552
- DTXSID
DTXSID101330679- ChEMBL
CHEMBL1595512
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility2.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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