4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide

C19H24N2O2 — CID 112789086

IUPAC4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2C(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-10(2)15-9-7-8-11(3)17(15)21-19(23)18-12(4)16(14(6)22)13(5)20-18/h7-10,20H,1-6H3,(H,21,23)
InChIKeyDLODYJLCQLTMTD-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.52
Rot. Bonds4

About 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 112789086) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID112789086
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2C(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-10(2)15-9-7-8-11(3)17(15)21-19(23)18-12(4)16(14(6)22)13(5)20-18/h7-10,20H,1-6H3,(H,21,23)
InChIKeyDLODYJLCQLTMTD-UHFFFAOYSA-N
XLogP4.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5066932
methyl 5-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55335094
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylphenyl)ethylamino]propan-1-one
CID 18097377
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600651
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597654

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (CID 112789086) is 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cccc2C(C)C)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DLODYJLCQLTMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-10(2)15-9-7-8-11(3)17(15)21-19(23)18-12(4)16(14(6)22)13(5)20-18/h7-10,20H,1-6H3,(H,21,23).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 112789086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).