4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C18H22N2O2 — CID 5066932

IUPAC4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C18H22N2O2/c1-6-14-9-7-8-10(2)16(14)20-18(22)17-11(3)15(13(5)21)12(4)19-17/h7-9,19H,6H2,1-5H3,(H,20,22)
InChIKeyRTXOVAWTQPVOTD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.96
Rot. Bonds4

About 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 5066932) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID5066932
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C18H22N2O2/c1-6-14-9-7-8-10(2)16(14)20-18(22)17-11(3)15(13(5)21)12(4)19-17/h7-9,19H,6H2,1-5H3,(H,20,22)
InChIKeyRTXOVAWTQPVOTD-UHFFFAOYSA-N
XLogP3.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 112789086
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059613
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
5-acetamido-N-(2-ethyl-6-methylphenyl)furan-2-carboxamide
CID 110699909
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
methyl 5-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55335094
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52719722

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 5066932) is 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RTXOVAWTQPVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-6-14-9-7-8-10(2)16(14)20-18(22)17-11(3)15(13(5)21)12(4)19-17/h7-9,19H,6H2,1-5H3,(H,20,22).
What are the key properties of 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 5066932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).