diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate

C19H22N2O5 — CID 10089768

IUPACdiethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C(=O)Nc2ccc(C)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H22N2O5/c1-5-25-18(23)14-12(4)15(19(24)26-6-2)21-16(14)17(22)20-13-9-7-11(3)8-10-13/h7-10,21H,5-6H2,1-4H3,(H,20,22)
InChIKeyMJOBALLPBATKMZ-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.24
Rot. Bonds6

About diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate

diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate (PubChem CID 10089768) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate
PubChem CID10089768
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namediethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C(=O)Nc2ccc(C)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H22N2O5/c1-5-25-18(23)14-12(4)15(19(24)26-6-2)21-16(14)17(22)20-13-9-7-11(3)8-10-13/h7-10,21H,5-6H2,1-4H3,(H,20,22)
InChIKeyMJOBALLPBATKMZ-UHFFFAOYSA-N
XLogP3.24
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10090791
diethyl 5-[(3-bromophenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10342227
ethyl 5-[(4-fluorophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2094567
2-O-ethyl 4-O-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198438
4-O-ethyl 2-O-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278339
ethyl 3,5-dimethyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 43953862
diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-oxobutanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 5079460
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
ethyl 5-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27902152
ethyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 26173698
4-O-[2-(4-chloroanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278748
2-O-ethyl 4-O-[2-(4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601285

Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate (CID 10089768) is diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1[nH]c(C(=O)Nc2ccc(C)cc2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is MJOBALLPBATKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-5-25-18(23)14-12(4)15(19(24)26-6-2)21-16(14)17(22)20-13-9-7-11(3)8-10-13/h7-10,21H,5-6H2,1-4H3,(H,20,22).
What are the key properties of diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate?
diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 10089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).