ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate

C21H28N2O4 — CID 20879091

IUPACethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2OC)c(C)n1CC
InChIInChI=1S/C21H28N2O4/c1-6-23-15(4)18(14(3)19(23)21(25)27-7-2)20(24)22-13-12-16-10-8-9-11-17(16)26-5/h8-11H,6-7,12-13H2,1-5H3,(H,22,24)
InChIKeyAKVSNCFEGIQAPQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.28
Rot. Bonds8

About ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate

ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 20879091) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate
PubChem CID20879091
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Nameethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2OC)c(C)n1CC
InChIInChI=1S/C21H28N2O4/c1-6-23-15(4)18(14(3)19(23)21(25)27-7-2)20(24)22-13-12-16-10-8-9-11-17(16)26-5/h8-11H,6-7,12-13H2,1-5H3,(H,22,24)
InChIKeyAKVSNCFEGIQAPQ-UHFFFAOYSA-N
XLogP3.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethyl-3,5-dimethyl-4-(3-methylbutylcarbamoyl)pyrrole-2-carboxylate
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2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 51049276
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
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CID 47098800

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate (CID 20879091) is ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)NCCc2ccccc2OC)c(C)n1CC.
What is the InChIKey of ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is AKVSNCFEGIQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-23-15(4)18(14(3)19(23)21(25)27-7-2)20(24)22-13-12-16-10-8-9-11-17(16)26-5/h8-11H,6-7,12-13H2,1-5H3,(H,22,24).
What are the key properties of ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate?
ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 20879091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).