N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide

C17H24N2O — CID 15656842

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide
SMILESCCc1cccc(C(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C17H24N2O/c1-3-13-5-4-6-15(12(13)2)17(20)18-16-11-19-9-7-14(16)8-10-19/h4-6,14,16H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyANTWIQMNTYUANE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.38
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide (PubChem CID 15656842) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide
PubChem CID15656842
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide
SMILESCCc1cccc(C(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C17H24N2O/c1-3-13-5-4-6-15(12(13)2)17(20)18-16-11-19-9-7-14(16)8-10-19/h4-6,14,16H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyANTWIQMNTYUANE-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide (CID 15656842) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide is CCc1cccc(C(=O)NC2CN3CCC2CC3)c1C.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide?
The InChIKey is ANTWIQMNTYUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-13-5-4-6-15(12(13)2)17(20)18-16-11-19-9-7-14(16)8-10-19/h4-6,14,16H,3,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-2-methylbenzamide is sourced from PubChem (CID 15656842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).