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

C13H23NO — CID 775434

IUPACN-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCCCC12CCC(NC(C)=O)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-3-4-12-5-8-13(9-6-12,10-7-12)14-11(2)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyQQHNEYXODDQVBV-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.02
Rot. Bonds3

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

N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide (PubChem CID 775434) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide.

Molecular Properties

Compound NameN-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide
PubChem CID775434
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCCCC12CCC(NC(C)=O)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-3-4-12-5-8-13(9-6-12,10-7-12)14-11(2)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyQQHNEYXODDQVBV-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide?
The IUPAC name of N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide (CID 775434) is N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide.
What is the SMILES notation for N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide?
The canonical SMILES for N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide is CCCC12CCC(NC(C)=O)(CC1)CC2.
What is the InChIKey of N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide?
The InChIKey is QQHNEYXODDQVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-12-5-8-13(9-6-12,10-7-12)14-11(2)15/h3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide?
N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide has a molecular weight of 209.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propyl-1-bicyclo[2.2.2]octanyl)acetamide is sourced from PubChem (CID 775434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).