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

C19H24N2O3 — CID 7117186

IUPACethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)c(C)n1C
InChIInChI=1S/C19H24N2O3/c1-7-24-19(23)17-13(4)16(14(5)21(17)6)18(22)20-15-9-8-11(2)10-12(15)3/h8-10H,7H2,1-6H3,(H,20,22)
InChIKeyMHXFZLNFBPENGY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.69
Rot. Bonds4

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

ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 7117186) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID7117186
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)c(C)n1C
InChIInChI=1S/C19H24N2O3/c1-7-24-19(23)17-13(4)16(14(5)21(17)6)18(22)20-15-9-8-11(2)10-12(15)3/h8-10H,7H2,1-6H3,(H,20,22)
InChIKeyMHXFZLNFBPENGY-UHFFFAOYSA-N
XLogP3.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxylate
CID 43954367
ethyl 4-[(2,4-difluorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43954005
ethyl 4-[(4-ethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 4165372
ethyl 1,3,5-trimethyl-4-(methylcarbamoyl)pyrrole-2-carboxylate
CID 43953939
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 4168784
ethyl 1-benzyl-4-[(4-bromo-2-methylphenyl)carbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 43954601
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
ethyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
CID 8714399
ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059355
ethyl 1,3,5-trimethyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrole-2-carboxylate
CID 43953993
ethyl 4-[[(2S)-1-methoxypropan-2-yl]carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 40516740
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 7117186) is ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)c(C)n1C.
What is the InChIKey of ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is MHXFZLNFBPENGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-7-24-19(23)17-13(4)16(14(5)21(17)6)18(22)20-15-9-8-11(2)10-12(15)3/h8-10H,7H2,1-6H3,(H,20,22).
What are the key properties of ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 7117186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).