3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide

C24H24N2O2 — CID 109054542

IUPAC3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-3-19-12-7-8-15-22(19)25-23(27)20-13-9-14-21(16-20)24(28)26(2)17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyYMLVYQGZKJTKMM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.77
Rot. Bonds6

About 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109054542) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109054542
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-3-19-12-7-8-15-22(19)25-23(27)20-13-9-14-21(16-20)24(28)26(2)17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyYMLVYQGZKJTKMM-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109054542) is 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide is CCc1ccccc1NC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is YMLVYQGZKJTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-19-12-7-8-15-22(19)25-23(27)20-13-9-14-21(16-20)24(28)26(2)17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,25,27).
What are the key properties of 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).