3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide

C17H20N2O — CID 62003677

IUPAC3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-5-8-16(13(3)9-11)19(4)17(20)14-7-6-12(2)15(18)10-14/h5-10H,18H2,1-4H3
InChIKeyJVGUTYSOJSAGFL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds2

About 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide

3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide (PubChem CID 62003677) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
PubChem CID62003677
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-5-8-16(13(3)9-11)19(4)17(20)14-7-6-12(2)15(18)10-14/h5-10H,18H2,1-4H3
InChIKeyJVGUTYSOJSAGFL-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 81308269
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
N-(2,4-dimethylphenyl)-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63858926
4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
CID 22010568
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174274
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
N-(2,4-dimethylphenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103888049

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide (CID 62003677) is 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide is Cc1ccc(N(C)C(=O)c2ccc(C)c(N)c2)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide?
The InChIKey is JVGUTYSOJSAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-8-16(13(3)9-11)19(4)17(20)14-7-6-12(2)15(18)10-14/h5-10H,18H2,1-4H3.
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide?
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 62003677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).