4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide

C17H20N2O — CID 60961314

IUPAC4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-12-4-9-16(10-13(12)2)19-11-14-5-7-15(8-6-14)17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyHAZFPQXNQAZOPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds4

About 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide

4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide (PubChem CID 60961314) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
PubChem CID60961314
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-12-4-9-16(10-13(12)2)19-11-14-5-7-15(8-6-14)17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyHAZFPQXNQAZOPG-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
2-[4-[(3-bromo-4-methylanilino)methyl]phenyl]acetic acid
CID 103251368

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide (CID 60961314) is 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide?
The InChIKey is HAZFPQXNQAZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-9-16(10-13(12)2)19-11-14-5-7-15(8-6-14)17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide?
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide is sourced from PubChem (CID 60961314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).