N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide

C16H20N2O — CID 125145143

IUPACN-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C16H20N2O/c1-5-13-8-6-7-9-15(13)17-16(19)14-10-11(2)18(4)12(14)3/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyPULKTQJPMHLLKP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.46
Rot. Bonds3

About N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide

N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 125145143) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID125145143
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C16H20N2O/c1-5-13-8-6-7-9-15(13)17-16(19)14-10-11(2)18(4)12(14)3/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyPULKTQJPMHLLKP-UHFFFAOYSA-N
XLogP3.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
CID 9182741
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
ethyl 4-[(2-ethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43953974
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide (CID 125145143) is N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide is CCc1ccccc1NC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is PULKTQJPMHLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-5-13-8-6-7-9-15(13)17-16(19)14-10-11(2)18(4)12(14)3/h6-10H,5H2,1-4H3,(H,17,19).
What are the key properties of N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide?
N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 125145143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).