2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide

C9H18N2O2 — CID 62036844

IUPAC2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide
SMILESCC(=O)C(C)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)11(5-9(10)13)7(3)8(4)12/h6-7H,5H2,1-4H3,(H2,10,13)
InChIKeySWTXLOYTKKNMBC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.16
Rot. Bonds5

About 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide

2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide (PubChem CID 62036844) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide
PubChem CID62036844
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide
SMILESCC(=O)C(C)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)11(5-9(10)13)7(3)8(4)12/h6-7H,5H2,1-4H3,(H2,10,13)
InChIKeySWTXLOYTKKNMBC-UHFFFAOYSA-N
XLogP0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide?
The IUPAC name of 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide (CID 62036844) is 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide?
The canonical SMILES for 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide is CC(=O)C(C)N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide?
The InChIKey is SWTXLOYTKKNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)11(5-9(10)13)7(3)8(4)12/h6-7H,5H2,1-4H3,(H2,10,13).
What are the key properties of 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide?
2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide has a molecular weight of 186.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62036844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).