3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide

C24H26N2O2 — CID 3665068

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H26N2O2/c1-4-19-10-12-21(13-11-19)25-24(28)14-15-26-17(2)22(18(3)27)16-23(26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3,(H,25,28)
InChIKeyKFVIHUBKYWJQBW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.26
Rot. Bonds7

About 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide (PubChem CID 3665068) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
PubChem CID3665068
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H26N2O2/c1-4-19-10-12-21(13-11-19)25-24(28)14-15-26-17(2)22(18(3)27)16-23(26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3,(H,25,28)
InChIKeyKFVIHUBKYWJQBW-UHFFFAOYSA-N
XLogP5.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 5061569
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
CID 3321229
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N-(4-ethylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 17394622
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 46374782
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide (CID 3665068) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide?
The InChIKey is KFVIHUBKYWJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-19-10-12-21(13-11-19)25-24(28)14-15-26-17(2)22(18(3)27)16-23(26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3,(H,25,28).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 3665068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).