3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide

C19H24N2O — CID 109035849

IUPAC3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2c(C)cccc2C)c1C
InChIInChI=1S/C19H24N2O/c1-13-7-6-10-17(16(13)4)21-18(22)11-12-20-19-14(2)8-5-9-15(19)3/h5-10,20H,11-12H2,1-4H3,(H,21,22)
InChIKeyPTKWQJRONNDLKT-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.36
Rot. Bonds5

About 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide

3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109035849) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID109035849
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2c(C)cccc2C)c1C
InChIInChI=1S/C19H24N2O/c1-13-7-6-10-17(16(13)4)21-18(22)11-12-20-19-14(2)8-5-9-15(19)3/h5-10,20H,11-12H2,1-4H3,(H,21,22)
InChIKeyPTKWQJRONNDLKT-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
CID 109035957
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide (CID 109035849) is 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2c(C)cccc2C)c1C.
What is the InChIKey of 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is PTKWQJRONNDLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-7-6-10-17(16(13)4)21-18(22)11-12-20-19-14(2)8-5-9-15(19)3/h5-10,20H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide?
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109035849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).