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

C24H22N2O3 — CID 109057295

IUPAC1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-3-17-7-4-5-10-22(17)26-24(29)20-9-6-8-19(15-20)23(28)25-21-13-11-18(12-14-21)16(2)27/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZPTUPHUHCMYCIS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.96
Rot. Bonds6

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

1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057295) 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-ethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057295
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-3-17-7-4-5-10-22(17)26-24(29)20-9-6-8-19(15-20)23(28)25-21-13-11-18(12-14-21)16(2)27/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyZPTUPHUHCMYCIS-UHFFFAOYSA-N
XLogP4.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-(2-ethylphenyl)-3-formamidobenzamide
CID 168654559
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36859745
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide (CID 109057295) is 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide is CCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is ZPTUPHUHCMYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-17-7-4-5-10-22(17)26-24(29)20-9-6-8-19(15-20)23(28)25-21-13-11-18(12-14-21)16(2)27/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.96, 6 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-ethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).