ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C20H26N2O3 — CID 43953966

IUPACethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N(CC)c2ccccc2C)c(C)n1C
InChIInChI=1S/C20H26N2O3/c1-7-22(16-12-10-9-11-13(16)3)19(23)17-14(4)18(20(24)25-8-2)21(6)15(17)5/h9-12H,7-8H2,1-6H3
InChIKeyJGMLEISWBMHZMR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.79
Rot. Bonds5

About ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 43953966) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID43953966
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)N(CC)c2ccccc2C)c(C)n1C
InChIInChI=1S/C20H26N2O3/c1-7-22(16-12-10-9-11-13(16)3)19(23)17-14(4)18(20(24)25-8-2)21(6)15(17)5/h9-12H,7-8H2,1-6H3
InChIKeyJGMLEISWBMHZMR-UHFFFAOYSA-N
XLogP3.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[bis(2-methylpropyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43953904
ethyl 4-[2-[benzoyl(cyclopropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42800329
ethyl 4-[(2-ethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43953974
ethyl 1-ethyl-4-[ethyl-(3-methylphenyl)carbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 43954115
ethyl 1,3,5-trimethyl-4-(methylcarbamoyl)pyrrole-2-carboxylate
CID 43953939
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylate
CID 12604237
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
ethyl 4-[2-[(4-fluorobenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679971
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 43953966) is ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)N(CC)c2ccccc2C)c(C)n1C.
What is the InChIKey of ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is JGMLEISWBMHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-7-22(16-12-10-9-11-13(16)3)19(23)17-14(4)18(20(24)25-8-2)21(6)15(17)5/h9-12H,7-8H2,1-6H3.
What are the key properties of ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-(2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 43953966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).