(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide

C13H19N3O2 — CID 40973670

IUPAC(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Nc1cccc(C)c1C
InChIInChI=1S/C13H19N3O2/c1-8-6-5-7-11(9(8)2)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m0/s1
InChIKeyDCYYTIVICXEUEQ-JTQLQIEISA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide

(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 40973670) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID40973670
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Nc1cccc(C)c1C
InChIInChI=1S/C13H19N3O2/c1-8-6-5-7-11(9(8)2)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m0/s1
InChIKeyDCYYTIVICXEUEQ-JTQLQIEISA-N
XLogP1.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94794030
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide (CID 40973670) is (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)Nc1cccc(C)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is DCYYTIVICXEUEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-5-7-11(9(8)2)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide?
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 40973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).