3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide

C24H24N2O3 — CID 109057247

IUPAC3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H24N2O3/c1-15-11-12-21(29-4)20(13-15)25-23(27)18-9-6-10-19(14-18)24(28)26-22-16(2)7-5-8-17(22)3/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKeyXMWSJFIYPWELCN-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.13
Rot. Bonds5

About 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide

3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057247) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057247
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H24N2O3/c1-15-11-12-21(29-4)20(13-15)25-23(27)18-9-6-10-19(14-18)24(28)26-22-16(2)7-5-8-17(22)3/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKeyXMWSJFIYPWELCN-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
5-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109198259
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268180
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 2232377
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide (CID 109057247) is 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide is COc1ccc(C)cc1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is XMWSJFIYPWELCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-15-11-12-21(29-4)20(13-15)25-23(27)18-9-6-10-19(14-18)24(28)26-22-16(2)7-5-8-17(22)3/h5-14H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).