4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

C23H22N2O2 — CID 109047105

IUPAC4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-7-11-21(17)24-22(26)19-12-14-20(15-13-19)23(27)25(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyOEXLAXBVHMCCAY-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.52
Rot. Bonds5

About 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047105) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109047105
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-7-11-21(17)24-22(26)19-12-14-20(15-13-19)23(27)25(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyOEXLAXBVHMCCAY-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (CID 109047105) is 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is OEXLAXBVHMCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-6-7-11-21(17)24-22(26)19-12-14-20(15-13-19)23(27)25(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).