N-(4,8-dioxo-2-adamantyl)acetamide

C12H15NO3 — CID 544683

IUPACN-(4,8-dioxo-2-adamantyl)acetamide
SMILESCC(=O)NC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C12H15NO3/c1-5(14)13-10-8-3-6-2-7(12(8)16)4-9(10)11(6)15/h6-10H,2-4H2,1H3,(H,13,14)
InChIKeyJVTTZDZUPOEPOA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds1

About N-(4,8-dioxo-2-adamantyl)acetamide

N-(4,8-dioxo-2-adamantyl)acetamide (PubChem CID 544683) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4,8-dioxo-2-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4,8-dioxo-2-adamantyl)acetamide
PubChem CID544683
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(4,8-dioxo-2-adamantyl)acetamide
SMILESCC(=O)NC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C12H15NO3/c1-5(14)13-10-8-3-6-2-7(12(8)16)4-9(10)11(6)15/h6-10H,2-4H2,1H3,(H,13,14)
InChIKeyJVTTZDZUPOEPOA-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,8-dioxo-2-adamantyl)acetamide?
The IUPAC name of N-(4,8-dioxo-2-adamantyl)acetamide (CID 544683) is N-(4,8-dioxo-2-adamantyl)acetamide.
What is the SMILES notation for N-(4,8-dioxo-2-adamantyl)acetamide?
The canonical SMILES for N-(4,8-dioxo-2-adamantyl)acetamide is CC(=O)NC1C2CC3CC(CC1C3=O)C2=O.
What is the InChIKey of N-(4,8-dioxo-2-adamantyl)acetamide?
The InChIKey is JVTTZDZUPOEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-5(14)13-10-8-3-6-2-7(12(8)16)4-9(10)11(6)15/h6-10H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(4,8-dioxo-2-adamantyl)acetamide?
N-(4,8-dioxo-2-adamantyl)acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dioxo-2-adamantyl)acetamide is sourced from PubChem (CID 544683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).