3-[(2,4,6-trimethylphenyl)methylamino]benzamide

C17H20N2O — CID 28650483

IUPAC3-[(2,4,6-trimethylphenyl)methylamino]benzamide
SMILESCc1cc(C)c(CNc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-15-6-4-5-14(9-15)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20)
InChIKeyIGFKTBRZEXXHFA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds4

About 3-[(2,4,6-trimethylphenyl)methylamino]benzamide

3-[(2,4,6-trimethylphenyl)methylamino]benzamide (PubChem CID 28650483) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methylamino]benzamide
PubChem CID28650483
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(2,4,6-trimethylphenyl)methylamino]benzamide
SMILESCc1cc(C)c(CNc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-15-6-4-5-14(9-15)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20)
InChIKeyIGFKTBRZEXXHFA-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4,6-trimethylphenyl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
3-[(2,4,6-trimethylphenyl)methylamino]phenol
CID 28722294
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43767611
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
2-[4-[(2,4,6-trimethylphenyl)methylamino]phenyl]acetamide
CID 43724074
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]benzamide?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]benzamide (CID 28650483) is 3-[(2,4,6-trimethylphenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methylamino]benzamide?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methylamino]benzamide is Cc1cc(C)c(CNc2cccc(C(N)=O)c2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methylamino]benzamide?
The InChIKey is IGFKTBRZEXXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-12(2)16(13(3)8-11)10-19-15-6-4-5-14(9-15)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20).
What are the key properties of 3-[(2,4,6-trimethylphenyl)methylamino]benzamide?
3-[(2,4,6-trimethylphenyl)methylamino]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethylphenyl)methylamino]benzamide is sourced from PubChem (CID 28650483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).