Basic information
- Standard SMILES
COCC(=CN(C)C)C(=O)c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1- InChIKey
PDUUJUCLLRKBTI-GOSISDBHSA-N- Molecular formula
- C20H25N3O4
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Dimethylamino-2-methoxymethyl-acryloyl)-1H-pyrrole-2-carboxylic Acid (2-hydroxy-1-(S)-phenyl-ethyl)-amide
- IUPAC
- 4-[3-(dimethylamino)-2-(methoxymethyl)prop-2-enoyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
Names & synonyms
PDUUJUCLLRKBTI-GOSISDBHSA-N4-(3-Dimethylamino-2-methoxymethyl-acryloyl)-1H-pyrrole-2-carboxylic Acid (2-hydroxy-1-(S)-phenyl-ethyl)-amide
Database identifiers
- PubChem CID
- 86587976
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
8 records
Compound notes
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