4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide

C18H22N2O — CID 43740066

IUPAC4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-5-6-16(13(2)9-12)11-20-17-8-7-15(10-14(17)3)18(21)19-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyYMHPZIAZHJCKGC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.58
Rot. Bonds4

About 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide

4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide (PubChem CID 43740066) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
PubChem CID43740066
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-5-6-16(13(2)9-12)11-20-17-8-7-15(10-14(17)3)18(21)19-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyYMHPZIAZHJCKGC-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
CID 66118950
4-[[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111937641
N,3-dimethyl-4-(prop-2-ynylamino)benzamide;3-methyl-4-(prop-2-ynylamino)benzoic acid
CID 167662505
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide (CID 43740066) is 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is YMHPZIAZHJCKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-6-16(13(2)9-12)11-20-17-8-7-15(10-14(17)3)18(21)19-4/h5-10,20H,11H2,1-4H3,(H,19,21).
What are the key properties of 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide?
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 43740066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).