N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide

C11H19NO — CID 537645

IUPACN-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C11H19NO/c1-9(13)12-11-6-3-10(2,4-7-11)5-8-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyHQTZBXMCHHEBEV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds1

About N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide

N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide (PubChem CID 537645) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide
PubChem CID537645
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C11H19NO/c1-9(13)12-11-6-3-10(2,4-7-11)5-8-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyHQTZBXMCHHEBEV-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide?
The IUPAC name of N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide (CID 537645) is N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide?
The canonical SMILES for N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide is CC(=O)NC12CCC(C)(CC1)CC2.
What is the InChIKey of N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide?
The InChIKey is HQTZBXMCHHEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)12-11-6-3-10(2,4-7-11)5-8-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide?
N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-bicyclo[2.2.2]octanyl)acetamide is sourced from PubChem (CID 537645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).