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

C14H25NO — CID 165385843

IUPACN-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(C(C)(C)C)(CC1)CC2
InChIInChI=1S/C14H25NO/c1-11(16)15-14-8-5-13(6-9-14,7-10-14)12(2,3)4/h5-10H2,1-4H3,(H,15,16)
InChIKeyZFICPFHBRADRDF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.26
Rot. Bonds1

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

N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide (PubChem CID 165385843) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide
PubChem CID165385843
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(C(C)(C)C)(CC1)CC2
InChIInChI=1S/C14H25NO/c1-11(16)15-14-8-5-13(6-9-14,7-10-14)12(2,3)4/h5-10H2,1-4H3,(H,15,16)
InChIKeyZFICPFHBRADRDF-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide?
The IUPAC name of N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide (CID 165385843) is N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide is CC(=O)NC12CCC(C(C)(C)C)(CC1)CC2.
What is the InChIKey of N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide?
The InChIKey is ZFICPFHBRADRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(16)15-14-8-5-13(6-9-14,7-10-14)12(2,3)4/h5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide?
N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide has a molecular weight of 223.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-bicyclo[2.2.2]octanyl)acetamide is sourced from PubChem (CID 165385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).