3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide

C14H24N2O2 — CID 62712701

IUPAC3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O2/c1-2-7-15-14(18)6-8-16-11-4-3-5-12(16)10-13(17)9-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyVROAFHMJSRNTIJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds5

About 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide

3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide (PubChem CID 62712701) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
PubChem CID62712701
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O2/c1-2-7-15-14(18)6-8-16-11-4-3-5-12(16)10-13(17)9-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyVROAFHMJSRNTIJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide (CID 62712701) is 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide is CCCNC(=O)CCN1C2CCCC1CC(=O)C2.
What is the InChIKey of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The InChIKey is VROAFHMJSRNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-7-15-14(18)6-8-16-11-4-3-5-12(16)10-13(17)9-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide is sourced from PubChem (CID 62712701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).