N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

C23H22N2O3 — CID 53124242

IUPACN-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-15-6-7-18(13-16(15)2)14-25-12-4-5-21(25)22(27)23(28)24-20-10-8-19(9-11-20)17(3)26/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyQEUJPKSWDCEAEC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.18
Rot. Bonds6

About N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (PubChem CID 53124242) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
PubChem CID53124242
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-15-6-7-18(13-16(15)2)14-25-12-4-5-21(25)22(27)23(28)24-20-10-8-19(9-11-20)17(3)26/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyQEUJPKSWDCEAEC-UHFFFAOYSA-N
XLogP4.18
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 53124303
N-(5-chloro-2-pyridinyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124248
N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124061
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124108
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124283
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
N-(2,5-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124203
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124086
N-(2-chloro-4-methylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124208
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
CID 53124150
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]ethanone
CID 79107037

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (CID 53124242) is N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is CC(=O)c1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The InChIKey is QEUJPKSWDCEAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-6-7-18(13-16(15)2)14-25-12-4-5-21(25)22(27)23(28)24-20-10-8-19(9-11-20)17(3)26/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide has a molecular weight of 374.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 53124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).