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

C24H24N2O2 — CID 109054196

IUPAC1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-8-3-5-10-21(17)15-25-23(27)19-12-7-13-20(14-19)24(28)26-16-22-11-6-4-9-18(22)2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNVIHLZVGTRYVGA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.16
Rot. Bonds6

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

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054196) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054196
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-8-3-5-10-21(17)15-25-23(27)19-12-7-13-20(14-19)24(28)26-16-22-11-6-4-9-18(22)2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNVIHLZVGTRYVGA-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054196) is 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is NVIHLZVGTRYVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-8-3-5-10-21(17)15-25-23(27)19-12-7-13-20(14-19)24(28)26-16-22-11-6-4-9-18(22)2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).