[1-(4-methoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate

HCID 321900

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Basic information

CAS: 64618-56-0
Standard SMILES: CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(OC)cc2)c1C
InChIKey: ALTCILYCKRVTHJ-UHFFFAOYSA-N
Molecular formula: C19H25N3O5
Average molar mass: 375.4 g/mol
Monoisotopic mass: 375.17942091

Names & identifiers

Preferred name: [1-(4-methoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC: [1-(4-methoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate

Names & synonyms

64618-56-0NSC276423[1-(4-methoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3276894SCHEMBL10513644DTXSID10313754NSC-276423[1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-3, 1-(4-methoxyphenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)

Database identifiers

CAS: 64618-56-0
PubChem CID: 321900
DTXSID: DTXSID10313754
ChEMBL: CHEMBL3276894

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 90.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 464

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