4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

C23H22N2O2 — CID 109049294

IUPAC4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H22N2O2/c1-15-7-4-5-10-20(15)24-22(26)18-11-13-19(14-12-18)23(27)25-21-16(2)8-6-9-17(21)3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyWGAKJFVMSAOGEV-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.12
Rot. Bonds4

About 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049294) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049294
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H22N2O2/c1-15-7-4-5-10-20(15)24-22(26)18-11-13-19(14-12-18)23(27)25-21-16(2)8-6-9-17(21)3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyWGAKJFVMSAOGEV-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (CID 109049294) is 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is WGAKJFVMSAOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-7-4-5-10-20(15)24-22(26)18-11-13-19(14-12-18)23(27)25-21-16(2)8-6-9-17(21)3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).