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

C18H22N2O2 — CID 36567496

IUPAC4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(C)C)c2)c1C
InChIInChI=1S/C18H22N2O2/c1-10(2)14-7-6-8-15(9-14)20-18(22)17-11(3)16(13(5)21)12(4)19-17/h6-10,19H,1-5H3,(H,20,22)
InChIKeyFDBIHZFPZJUBFR-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.21
Rot. Bonds4

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

4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 36567496) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID36567496
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(C)C)c2)c1C
InChIInChI=1S/C18H22N2O2/c1-10(2)14-7-6-8-15(9-14)20-18(22)17-11(3)16(13(5)21)12(4)19-17/h6-10,19H,1-5H3,(H,20,22)
InChIKeyFDBIHZFPZJUBFR-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
propan-2-yl 5-[(3-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27167428
4-acetyl-N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 71771099
4-acetyl-3,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 35865008
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
methyl 2,4-dimethyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17463841
4-acetyl-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5066932
4-acetyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 25335187
4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
CID 32838268
4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (CID 36567496) is 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(C)C)c2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FDBIHZFPZJUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-10(2)14-7-6-8-15(9-14)20-18(22)17-11(3)16(13(5)21)12(4)19-17/h6-10,19H,1-5H3,(H,20,22).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.21, 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-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 36567496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).