N-(4-oxo-1-adamantyl)acetamide

C12H17NO2 — CID 5338964

IUPACN-(4-oxo-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C12H17NO2/c1-7(14)13-12-4-8-2-9(5-12)11(15)10(3-8)6-12/h8-10H,2-6H2,1H3,(H,13,14)
InChIKeyDNADEDKIQXROFJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.27
Rot. Bonds1

About N-(4-oxo-1-adamantyl)acetamide

N-(4-oxo-1-adamantyl)acetamide (PubChem CID 5338964) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(4-oxo-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-1-adamantyl)acetamide
PubChem CID5338964
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(4-oxo-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C12H17NO2/c1-7(14)13-12-4-8-2-9(5-12)11(15)10(3-8)6-12/h8-10H,2-6H2,1H3,(H,13,14)
InChIKeyDNADEDKIQXROFJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1-adamantyl)acetamide?
The IUPAC name of N-(4-oxo-1-adamantyl)acetamide (CID 5338964) is N-(4-oxo-1-adamantyl)acetamide.
What is the SMILES notation for N-(4-oxo-1-adamantyl)acetamide?
The canonical SMILES for N-(4-oxo-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C1)C(=O)C(C3)C2.
What is the InChIKey of N-(4-oxo-1-adamantyl)acetamide?
The InChIKey is DNADEDKIQXROFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7(14)13-12-4-8-2-9(5-12)11(15)10(3-8)6-12/h8-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(4-oxo-1-adamantyl)acetamide?
N-(4-oxo-1-adamantyl)acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1-adamantyl)acetamide is sourced from PubChem (CID 5338964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).