4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

C24H22N2O3 — CID 109046836

IUPAC4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3C)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-16-6-3-4-7-21(16)15-25-23(28)18-10-12-19(13-11-18)24(29)26-22-9-5-8-20(14-22)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMTYGMLKCHGVJGU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.38
Rot. Bonds6

About 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109046836) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109046836
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3C)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-16-6-3-4-7-21(16)15-25-23(28)18-10-12-19(13-11-18)24(29)26-22-9-5-8-20(14-22)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMTYGMLKCHGVJGU-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
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
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
N-[3-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883847
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109046836) is 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3C)cc2)c1.
What is the InChIKey of 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is MTYGMLKCHGVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-6-3-4-7-21(16)15-25-23(28)18-10-12-19(13-11-18)24(29)26-22-9-5-8-20(14-22)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).