3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide

C24H24N2O3 — CID 109057223

IUPAC3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-29-22-10-8-20(9-11-22)25-23(27)18-6-5-7-19(15-18)24(28)26-21-13-16(2)12-17(3)14-21/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNYLQTEPJTISIBR-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.21
Rot. Bonds6

About 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide

3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057223) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057223
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-29-22-10-8-20(9-11-22)25-23(27)18-6-5-7-19(15-18)24(28)26-21-13-16(2)12-17(3)14-21/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNYLQTEPJTISIBR-UHFFFAOYSA-N
XLogP5.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-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

3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide (CID 109057223) is 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1.
What is the InChIKey of 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is NYLQTEPJTISIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-29-22-10-8-20(9-11-22)25-23(27)18-6-5-7-19(15-18)24(28)26-21-13-16(2)12-17(3)14-21/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide?
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).