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

C17H20N2O6 — CID 71576576

IUPACethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(O)c(C(=O)N(C)C)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O6/c1-5-25-17(23)13-15(21)14(20)12(16(22)18(2)3)19(13)10-6-8-11(24-4)9-7-10/h6-9,20-21H,5H2,1-4H3
InChIKeyDSGYDCBOQWWSEA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.78
Rot. Bonds5

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

ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate (PubChem CID 71576576) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
PubChem CID71576576
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Nameethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(O)c(C(=O)N(C)C)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O6/c1-5-25-17(23)13-15(21)14(20)12(16(22)18(2)3)19(13)10-6-8-11(24-4)9-7-10/h6-9,20-21H,5H2,1-4H3
InChIKeyDSGYDCBOQWWSEA-UHFFFAOYSA-N
XLogP1.78
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(diethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 71599545
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-iodophenyl)pyrrole-2-carboxylate
CID 71599633
ethyl 3,4-bis[[4-(dimethoxyphosphoryloxymethyl)benzoyl]oxy]-5-(dimethylcarbamoyl)-1-(4-methoxyphenyl)pyrrole-2-carboxylate
CID 121326922
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
magnesium;5-acetyl-3,4-dihydroxy-1-(4-methoxyphenyl)-N,N-dimethylpyrrole-2-carboxamide;bis(5-acetyl-1-(4-methoxyphenyl)-N,N,4-trimethyl-3-phenylmethoxypyrrole-2-carboxamide);propane;chloride
CID 160735331
2-[4-(2-carboxypropan-2-yl)-2-(dimethylcarbamoyl)-5-ethoxycarbonyl-1-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]pyrrol-3-yl]-2-methylpropanoic acid
CID 118872161
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 741661
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate (CID 71576576) is ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate is CCOC(=O)c1c(O)c(O)c(C(=O)N(C)C)n1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
The InChIKey is DSGYDCBOQWWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-5-25-17(23)13-15(21)14(20)12(16(22)18(2)3)19(13)10-6-8-11(24-4)9-7-10/h6-9,20-21H,5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate?
ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 71576576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).