Methyl 4-carbamoyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

HCID 342986

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Basic information

CAS: 94126-66-6
Standard SMILES: COC(=O)c1c(C(N)=O)c(C)n(NC(=O)Nc2ccccc2)c1C
InChIKey: RBMFRTPRBGXGGL-UHFFFAOYSA-N
Molecular formula: C16H18N4O4
Average molar mass: 330.34 g/mol
Monoisotopic mass: 330.13280507

Names & identifiers

Preferred name: Methyl 4-carbamoyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate
IUPAC: methyl 4-carbamoyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Names & synonyms

methyl 4-carbamoyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate94126-66-6NSC381489DTXSID20321789NSC-381489DS-011451Methyl 4-carbamoyl-2,5-dimethyl-1-[(phenylcarbamoyl)amino]-1H-pyrrole-3-carboxylate

Database identifiers

CAS: 94126-66-6
PubChem CID: 342986
DTXSID: DTXSID20321789

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 115 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 492

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