[1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Basic information
- CAS
64618-20-8- Standard SMILES
CCOc1ccc(-n2c(C)c(COC(=O)NC)c(COC(=O)NC)c2C)cc1- InChIKey
JTAIGTLXDFUPLB-UHFFFAOYSA-N- Molecular formula
- C20H27N3O5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.19507097
Names & identifiers
- Preferred name
- [1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
64618-20-8NSC276359[1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3276895DTXSID10313734NSC-276359[1-(4-Ethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-3, 1-(4-ethoxyphenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
64618-20-8- PubChem CID
- 321867
- DTXSID
DTXSID10313734- ChEMBL
CHEMBL3276895
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 478
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Compound notes
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