3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide

C18H22N2O — CID 60728339

IUPAC3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O/c1-13-8-9-14(2)16(10-13)12-19-17-7-5-6-15(11-17)18(21)20(3)4/h5-11,19H,12H2,1-4H3
InChIKeyIOCLJQIDPVIYPP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.62
Rot. Bonds4

About 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide

3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 60728339) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID60728339
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O/c1-13-8-9-14(2)16(10-13)12-19-17-7-5-6-15(11-17)18(21)20(3)4/h5-11,19H,12H2,1-4H3
InChIKeyIOCLJQIDPVIYPP-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide
CID 95316778
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide (CID 60728339) is 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide is Cc1ccc(C)c(CNc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is IOCLJQIDPVIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-9-14(2)16(10-13)12-19-17-7-5-6-15(11-17)18(21)20(3)4/h5-11,19H,12H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide?
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 60728339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).