1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide

C24H22N2O3 — CID 109057157

IUPAC1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-7-12-22(16(2)13-15)26-24(29)20-6-4-5-19(14-20)23(28)25-21-10-8-18(9-11-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyIUGCNNUVVCGSEO-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.01
Rot. Bonds5

About 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide

1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057157) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057157
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-7-12-22(16(2)13-15)26-24(29)20-6-4-5-19(14-20)23(28)25-21-10-8-18(9-11-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyIUGCNNUVVCGSEO-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109057157) is 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IUGCNNUVVCGSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-7-12-22(16(2)13-15)26-24(29)20-6-4-5-19(14-20)23(28)25-21-10-8-18(9-11-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).