2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

C19H24N2O — CID 46757405

IUPAC2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O/c1-12-9-10-14(3)18(11-12)21-19(22)16(5)20-17-8-6-7-13(2)15(17)4/h6-11,16,20H,1-5H3,(H,21,22)
InChIKeyIQQAHGBDSZEOMC-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.36
Rot. Bonds4

About 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 46757405) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID46757405
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O/c1-12-9-10-14(3)18(11-12)21-19(22)16(5)20-17-8-6-7-13(2)15(17)4/h6-11,16,20H,1-5H3,(H,21,22)
InChIKeyIQQAHGBDSZEOMC-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 25247027
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 46757405) is 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)Nc2cccc(C)c2C)c1.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is IQQAHGBDSZEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-9-10-14(3)18(11-12)21-19(22)16(5)20-17-8-6-7-13(2)15(17)4/h6-11,16,20H,1-5H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 46757405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).