2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide

C13H22N2O2 — CID 55107045

IUPAC2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-3-6-14-13(17)9(2)15-10-4-5-11(15)8-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyQSUDXKBOBHTNAN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.10
Rot. Bonds4

About 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide

2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide (PubChem CID 55107045) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide
PubChem CID55107045
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-3-6-14-13(17)9(2)15-10-4-5-11(15)8-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyQSUDXKBOBHTNAN-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide?
The IUPAC name of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide (CID 55107045) is 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide?
The canonical SMILES for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1C2CCC1CC(=O)C2.
What is the InChIKey of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide?
The InChIKey is QSUDXKBOBHTNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-14-13(17)9(2)15-10-4-5-11(15)8-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide?
2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)-N-propylpropanamide is sourced from PubChem (CID 55107045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).