3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C24H24N2O3 — CID 109054817

IUPAC3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16-11-12-21(13-17(16)2)26-24(28)19-9-6-8-18(14-19)23(27)25-15-20-7-4-5-10-22(20)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWOHUKMMWMMSYFD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.49
Rot. Bonds6

About 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054817) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054817
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16-11-12-21(13-17(16)2)26-24(28)19-9-6-8-18(14-19)23(27)25-15-20-7-4-5-10-22(20)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyWOHUKMMWMMSYFD-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
3-[(3,4-dimethylphenyl)carbamoylamino]-N-[(2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348834
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105765
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054817) is 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1ccccc1CNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is WOHUKMMWMMSYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-11-12-21(13-17(16)2)26-24(28)19-9-6-8-18(14-19)23(27)25-15-20-7-4-5-10-22(20)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).