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

C13H23NO — CID 70947810

IUPAC2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-10(2)11(15)14-13-7-4-12(3,5-8-13)6-9-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZENPEAPCBGIXKQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide

2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide (PubChem CID 70947810) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide
PubChem CID70947810
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-10(2)11(15)14-13-7-4-12(3,5-8-13)6-9-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZENPEAPCBGIXKQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide (CID 70947810) is 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide is CC(C)C(=O)NC12CCC(C)(CC1)CC2.
What is the InChIKey of 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide?
The InChIKey is ZENPEAPCBGIXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11(15)14-13-7-4-12(3,5-8-13)6-9-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide?
2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide has a molecular weight of 209.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)propanamide is sourced from PubChem (CID 70947810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).