4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide

C23H22N2O2 — CID 109046812

IUPAC4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyRCGIKPXANBFFME-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.20
Rot. Bonds5

About 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide

4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109046812) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109046812
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyRCGIKPXANBFFME-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
CID 108961721
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide (CID 109046812) is 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is RCGIKPXANBFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide?
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109046812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).