N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C13H24N2O3 — CID 46798170

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC(C)OC(C)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)12(14-11(5)16)13(17)15-6-9(3)18-10(4)7-15/h8-10,12H,6-7H2,1-5H3,(H,14,16)
InChIKeyLWKZTOMARNTHMM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds3

About N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide

N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 46798170) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID46798170
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC(C)OC(C)C1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)12(14-11(5)16)13(17)15-6-9(3)18-10(4)7-15/h8-10,12H,6-7H2,1-5H3,(H,14,16)
InChIKeyLWKZTOMARNTHMM-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 46798170) is N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CC(C)OC(C)C1)C(C)C.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is LWKZTOMARNTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)12(14-11(5)16)13(17)15-6-9(3)18-10(4)7-15/h8-10,12H,6-7H2,1-5H3,(H,14,16).
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 46798170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).