4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide

C22H22N2O — CID 112982081

IUPAC4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-16-6-8-19(9-7-16)22(25)24-21-12-10-20(11-13-21)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyFPJMRULSTZOZAX-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.17
Rot. Bonds5

About 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide

4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide (PubChem CID 112982081) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
PubChem CID112982081
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-16-6-8-19(9-7-16)22(25)24-21-12-10-20(11-13-21)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyFPJMRULSTZOZAX-UHFFFAOYSA-N
XLogP5.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide (CID 112982081) is 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide?
The InChIKey is FPJMRULSTZOZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-6-8-19(9-7-16)22(25)24-21-12-10-20(11-13-21)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide?
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).