ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate

C19H24N2O6 — CID 71599545

IUPACethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(O)c(C(=O)N(CC)CC)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O6/c1-5-20(6-2)18(24)14-16(22)17(23)15(19(25)27-7-3)21(14)12-8-10-13(26-4)11-9-12/h8-11,22-23H,5-7H2,1-4H3
InChIKeyPXYDLKSLNDQICJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.56
Rot. Bonds7

About ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate

ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate (PubChem CID 71599545) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
PubChem CID71599545
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Nameethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(O)c(C(=O)N(CC)CC)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O6/c1-5-20(6-2)18(24)14-16(22)17(23)15(19(25)27-7-3)21(14)12-8-10-13(26-4)11-9-12/h8-11,22-23H,5-7H2,1-4H3
InChIKeyPXYDLKSLNDQICJ-UHFFFAOYSA-N
XLogP2.56
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71576576
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-iodophenyl)pyrrole-2-carboxylate
CID 71599633
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
diethyl 1-(3,4-dimethoxyphenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71599027
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 3,4-bis[[4-(dimethoxyphosphoryloxymethyl)benzoyl]oxy]-5-(dimethylcarbamoyl)-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 121326922
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 741661
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 705131

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate (CID 71599545) is ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate is CCOC(=O)c1c(O)c(O)c(C(=O)N(CC)CC)n1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The InChIKey is PXYDLKSLNDQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-5-20(6-2)18(24)14-16(22)17(23)15(19(25)27-7-3)21(14)12-8-10-13(26-4)11-9-12/h8-11,22-23H,5-7H2,1-4H3.
What are the key properties of ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 71599545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).