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

C24H22N2O3 — CID 109049646

IUPAC1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-4-11-22(14-16(15)2)26-24(29)20-7-5-19(6-8-20)23(28)25-21-12-9-18(10-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyASBVGQPJJQHGBF-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.01
Rot. Bonds5

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

1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049646) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049646
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-15-4-11-22(14-16(15)2)26-24(29)20-7-5-19(6-8-20)23(28)25-21-12-9-18(10-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyASBVGQPJJQHGBF-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

Analyze 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide (CID 109049646) is 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ASBVGQPJJQHGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-4-11-22(14-16(15)2)26-24(29)20-7-5-19(6-8-20)23(28)25-21-12-9-18(10-13-21)17(3)27/h4-14H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide?
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-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)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).