[2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamate
Basic information
- CAS
64618-23-1- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccccc2)c1C- InChIKey
JPRGMKYLCVCCNO-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- [2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
NSC27004564618-23-1[2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenylpyrrol-3-yl]methyl N-methylcarbamateCHEMBL39207SCHEMBL10514981DTXSID20313427NSC-2700451H-Pyrrole-3, 2,5-dimethyl-1-phenyl-, bis(methylcarbamate) (ester)(2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)bis(methylene) bis(methylcarbamate)[2,5-dimethyl-4-(methylcarbamoyloxymethyl)-1-phenyl-pyrrol-3-yl]methyl N-methylcarbamate1H-Pyrrole-3,4-dimethanol, 2,5-dimethyl-1-phenyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
64618-23-1- PubChem CID
- 320907
- DTXSID
DTXSID20313427- ChEMBL
CHEMBL39207
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…