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

C18H26N2O — CID 15656867

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide
SMILESCCCCc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C18H26N2O/c1-2-3-6-14-7-4-5-8-16(14)18(21)19-17-13-20-11-9-15(17)10-12-20/h4-5,7-8,15,17H,2-3,6,9-13H2,1H3,(H,19,21)
InChIKeyMZGLSJLPOYNVLI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.85
Rot. Bonds5

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide (PubChem CID 15656867) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide
PubChem CID15656867
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide
SMILESCCCCc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C18H26N2O/c1-2-3-6-14-7-4-5-8-16(14)18(21)19-17-13-20-11-9-15(17)10-12-20/h4-5,7-8,15,17H,2-3,6,9-13H2,1H3,(H,19,21)
InChIKeyMZGLSJLPOYNVLI-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.85
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)-2-butylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide (CID 15656867) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide is CCCCc1ccccc1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide?
The InChIKey is MZGLSJLPOYNVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-6-14-7-4-5-8-16(14)18(21)19-17-13-20-11-9-15(17)10-12-20/h4-5,7-8,15,17H,2-3,6,9-13H2,1H3,(H,19,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-butylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 2.85, 5 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)-2-butylbenzamide is sourced from PubChem (CID 15656867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).