2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide

C13H19N3O2 — CID 61219044

IUPAC2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(16-13(2,3)12(14)18)11(17)15-10-7-5-4-6-8-10/h4-9,16H,1-3H3,(H2,14,18)(H,15,17)
InChIKeyXEGCNYNEQGSPJI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.87
Rot. Bonds5

About 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide

2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide (PubChem CID 61219044) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
PubChem CID61219044
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(N)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(16-13(2,3)12(14)18)11(17)15-10-7-5-4-6-8-10/h4-9,16H,1-3H3,(H2,14,18)(H,15,17)
InChIKeyXEGCNYNEQGSPJI-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-methyl-2-(phenylcarbamothioylamino)propanamide
CID 116508120
tert-butyl N-[(1-anilino-1-oxopropan-2-yl)amino]carbamate
CID 22718169
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-(benzylamino)-N-phenylpropanamide
CID 4877973
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343

Frequently Asked Questions

What is the IUPAC name of 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide (CID 61219044) is 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide is CC(NC(C)(C)C(N)=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide?
The InChIKey is XEGCNYNEQGSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16-13(2,3)12(14)18)11(17)15-10-7-5-4-6-8-10/h4-9,16H,1-3H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide?
2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 61219044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).