3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C23H22N2O2 — CID 109054531

IUPAC3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-13-21(14-17)24-22(26)19-11-7-12-20(15-19)23(27)25(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyUKXVVJOWLWLHHW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.52
Rot. Bonds5

About 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide

3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109054531) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109054531
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-13-21(14-17)24-22(26)19-11-7-12-20(15-19)23(27)25(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyUKXVVJOWLWLHHW-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-benzyl-N-methylbenzamide
CID 3936845
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
CID 26162821
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 109054531) is 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is UKXVVJOWLWLHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-6-13-21(14-17)24-22(26)19-11-7-12-20(15-19)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 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-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 3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).