[1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Basic information
- CAS
64618-57-1- Standard SMILES
CCCCc1ccc(-n2c(C)c(COC(=O)NC)c(COC(=O)NC)c2C)cc1- InChIKey
OJPMBLRAELYHST-UHFFFAOYSA-N- Molecular formula
- C22H31N3O4
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.23145648
Names & identifiers
- Preferred name
- [1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
64618-57-1NSC276361[1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL1966756DTXSID30313736NSC-276361NCI60_002247[1-(4-Butylphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-,bis(methylcarbamate) (ester)
Database identifiers
- CAS
64618-57-1- PubChem CID
- 321869
- DTXSID
DTXSID30313736- ChEMBL
CHEMBL1966756
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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