4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 866998

IUPAC4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C17H20N2O3/c1-5-22-14-8-6-13(7-9-14)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-9,18H,5H2,1-4H3,(H,19,21)
InChIKeyBJXXRLXHKCYCIN-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.49
Rot. Bonds5

About 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 866998) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID866998
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C17H20N2O3/c1-5-22-14-8-6-13(7-9-14)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-9,18H,5H2,1-4H3,(H,19,21)
InChIKeyBJXXRLXHKCYCIN-UHFFFAOYSA-N
XLogP3.49
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2429118
4-Acetyl-N-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129
3,6,6-trimethyl-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)oxyanilino]-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 168119339
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867011
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867014
4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2086522
4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2115839
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 2405889
2-O-[2-(4-ethoxyanilino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2418592
2-(4-methoxyphenoxy)ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2543535

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 866998) is 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is BJXXRLXHKCYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-5-22-14-8-6-13(7-9-14)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-9,18H,5H2,1-4H3,(H,19,21).
What are the key properties of 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 866998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).