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

C19H22N2O6 — CID 10090791

IUPACdiethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C(=O)Nc2ccc(OC)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H22N2O6/c1-5-26-18(23)14-11(3)15(19(24)27-6-2)21-16(14)17(22)20-12-7-9-13(25-4)10-8-12/h7-10,21H,5-6H2,1-4H3,(H,20,22)
InChIKeyLNAVUGGYZABMDY-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.94
Rot. Bonds7

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

diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 10090791) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID10090791
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Namediethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C(=O)Nc2ccc(OC)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H22N2O6/c1-5-26-18(23)14-11(3)15(19(24)27-6-2)21-16(14)17(22)20-12-7-9-13(25-4)10-8-12/h7-10,21H,5-6H2,1-4H3,(H,20,22)
InChIKeyLNAVUGGYZABMDY-UHFFFAOYSA-N
XLogP2.94
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate
CID 10089768
2-O-ethyl 4-O-[2-(4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601285
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-[(4-methoxyphenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16577366
ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 4771964
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-fluorophenyl)carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091787
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
ethyl 5-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27902152
2-methoxyethyl 2,4-dimethyl-5-[(4-phenoxyphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 46488018
ethyl 5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9365671

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate (CID 10090791) is diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1[nH]c(C(=O)Nc2ccc(OC)cc2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is LNAVUGGYZABMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-5-26-18(23)14-11(3)15(19(24)27-6-2)21-16(14)17(22)20-12-7-9-13(25-4)10-8-12/h7-10,21H,5-6H2,1-4H3,(H,20,22).
What are the key properties of diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate?
diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 374.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 10090791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).