N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide

C13H23NO — CID 130444008

IUPACN-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCCC(=O)NC12CCC(CC)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-3-11(15)14-13-8-5-12(4-2,6-9-13)7-10-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyBCKJQTAZHFGDQS-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.02
Rot. Bonds3

About N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide

N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide (PubChem CID 130444008) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide
PubChem CID130444008
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCCC(=O)NC12CCC(CC)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-3-11(15)14-13-8-5-12(4-2,6-9-13)7-10-13/h3-10H2,1-2H3,(H,14,15)
InChIKeyBCKJQTAZHFGDQS-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-ethyl-1-bicyclo[2.2.2]octanyl)propanamide?
The IUPAC name of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide (CID 130444008) is N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide.
What is the SMILES notation for N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide?
The canonical SMILES for N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide is CCC(=O)NC12CCC(CC)(CC1)CC2.
What is the InChIKey of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide?
The InChIKey is BCKJQTAZHFGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-11(15)14-13-8-5-12(4-2,6-9-13)7-10-13/h3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide?
N-(4-ethyl-1-bicyclo[2.2.2]octanyl)propanamide 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-ethyl-1-bicyclo[2.2.2]octanyl)propanamide is sourced from PubChem (CID 130444008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).