N-(2,5-dioxohexyl)acetamide;ethane;methane

C11H23NO3 — CID 158011849

IUPACN-(2,5-dioxohexyl)acetamide;ethane;methane
SMILESC.CC.CC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO3.C2H6.CH4/c1-6(10)3-4-8(12)5-9-7(2)11;1-2;/h3-5H2,1-2H3,(H,9,11);1-2H3;1H4
InChIKeyFEZIIUGONBTMMC-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.72
Rot. Bonds5

About N-(2,5-dioxohexyl)acetamide;ethane;methane

N-(2,5-dioxohexyl)acetamide;ethane;methane (PubChem CID 158011849) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,5-dioxohexyl)acetamide;ethane;methane.

Molecular Properties

Compound NameN-(2,5-dioxohexyl)acetamide;ethane;methane
PubChem CID158011849
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(2,5-dioxohexyl)acetamide;ethane;methane
SMILESC.CC.CC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO3.C2H6.CH4/c1-6(10)3-4-8(12)5-9-7(2)11;1-2;/h3-5H2,1-2H3,(H,9,11);1-2H3;1H4
InChIKeyFEZIIUGONBTMMC-UHFFFAOYSA-N
XLogP1.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-3-sulfanylpropyl)acetamide
CID 57187286
hexane-2,5-dione
CID 8035
N-(bromomethyl)acetamide
CID 22970413
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
N-(8-oxononyl)acetamide
CID 58114719
1-[[2-oxo-3-(pentylamino)propyl]amino]hexane-2,5-dione
CID 158938158
2-acetamidoacetate;chromium(3+)
CID 161474806
methane;methyl 4-oxopentanoate
CID 157451764
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
sodium;hydride;tetradecane-2,5,8,11-tetrone
CID 174954679
[2-(2,5-dioxohexylamino)-2-oxoethyl] 2-methylpropanoate;N-(2,5-dioxohexyl)-5-methyl-4-oxohexanamide;2,5-dioxohexyl 2-methylpropanoate;9-methyldecane-2,5,8-trione
CID 157209055
ethane;tris(pentane-2,4-dione)
CID 158826280

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxohexyl)acetamide;ethane;methane?
The IUPAC name of N-(2,5-dioxohexyl)acetamide;ethane;methane (CID 158011849) is N-(2,5-dioxohexyl)acetamide;ethane;methane.
What is the SMILES notation for N-(2,5-dioxohexyl)acetamide;ethane;methane?
The canonical SMILES for N-(2,5-dioxohexyl)acetamide;ethane;methane is C.CC.CC(=O)CCC(=O)CNC(C)=O.
What is the InChIKey of N-(2,5-dioxohexyl)acetamide;ethane;methane?
The InChIKey is FEZIIUGONBTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6.CH4/c1-6(10)3-4-8(12)5-9-7(2)11;1-2;/h3-5H2,1-2H3,(H,9,11);1-2H3;1H4.
What are the key properties of N-(2,5-dioxohexyl)acetamide;ethane;methane?
N-(2,5-dioxohexyl)acetamide;ethane;methane has a molecular weight of 217.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxohexyl)acetamide;ethane;methane is sourced from PubChem (CID 158011849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).