2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide

C9H19N3O2 — CID 166851139

IUPAC2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide
SMILESCNCC(=O)C(C)(C)NC(C)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(8(10)14)12-9(2,3)7(13)5-11-4/h6,11-12H,5H2,1-4H3,(H2,10,14)
InChIKeyARHYLXPOLNAJNW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.98
Rot. Bonds6

About 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide

2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide (PubChem CID 166851139) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide
PubChem CID166851139
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide
SMILESCNCC(=O)C(C)(C)NC(C)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(8(10)14)12-9(2,3)7(13)5-11-4/h6,11-12H,5H2,1-4H3,(H2,10,14)
InChIKeyARHYLXPOLNAJNW-UHFFFAOYSA-N
XLogP-0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide?
The IUPAC name of 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide (CID 166851139) is 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide?
The canonical SMILES for 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide is CNCC(=O)C(C)(C)NC(C)C(N)=O.
What is the InChIKey of 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide?
The InChIKey is ARHYLXPOLNAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(8(10)14)12-9(2,3)7(13)5-11-4/h6,11-12H,5H2,1-4H3,(H2,10,14).
What are the key properties of 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide?
2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide is sourced from PubChem (CID 166851139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).