4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide

C18H29NO2 — CID 156836468

IUPAC4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NC23CCC(C)(CC2)CC3)CC1
InChIInChI=1S/C18H29NO2/c1-13(20)14-3-5-15(6-4-14)16(21)19-18-10-7-17(2,8-11-18)9-12-18/h14-15H,3-12H2,1-2H3,(H,19,21)
InChIKeyYTSZATIBDOXOTF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.61
Rot. Bonds3

About 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide

4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide (PubChem CID 156836468) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide
PubChem CID156836468
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NC23CCC(C)(CC2)CC3)CC1
InChIInChI=1S/C18H29NO2/c1-13(20)14-3-5-15(6-4-14)16(21)19-18-10-7-17(2,8-11-18)9-12-18/h14-15H,3-12H2,1-2H3,(H,19,21)
InChIKeyYTSZATIBDOXOTF-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide (CID 156836468) is 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide is CC(=O)C1CCC(C(=O)NC23CCC(C)(CC2)CC3)CC1.
What is the InChIKey of 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide?
The InChIKey is YTSZATIBDOXOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(20)14-3-5-15(6-4-14)16(21)19-18-10-7-17(2,8-11-18)9-12-18/h14-15H,3-12H2,1-2H3,(H,19,21).
What are the key properties of 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide?
4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 156836468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).