4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide

C24H24N2O3 — CID 109049620

IUPAC4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-29-21-13-11-20(12-14-21)25-23(27)18-7-9-19(10-8-18)24(28)26-22-15-16(2)5-6-17(22)3/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBRTQDVIYCGHUHV-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.21
Rot. Bonds6

About 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide

4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049620) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109049620
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-29-21-13-11-20(12-14-21)25-23(27)18-7-9-19(10-8-18)24(28)26-22-15-16(2)5-6-17(22)3/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBRTQDVIYCGHUHV-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

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Related Compounds

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide (CID 109049620) is 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is BRTQDVIYCGHUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-29-21-13-11-20(12-14-21)25-23(27)18-7-9-19(10-8-18)24(28)26-22-15-16(2)5-6-17(22)3/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-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 4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).