2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide

C14H24N2O2 — CID 62712887

IUPAC2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O2/c1-3-7-15-14(18)10(2)16-11-5-4-6-12(16)9-13(17)8-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyPZXFZZRQIZPORC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds4

About 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide

2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide (PubChem CID 62712887) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
PubChem CID62712887
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O2/c1-3-7-15-14(18)10(2)16-11-5-4-6-12(16)9-13(17)8-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyPZXFZZRQIZPORC-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The IUPAC name of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide (CID 62712887) is 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The canonical SMILES for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
The InChIKey is PZXFZZRQIZPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-15-14(18)10(2)16-11-5-4-6-12(16)9-13(17)8-11/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide?
2-(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, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)-N-propylpropanamide is sourced from PubChem (CID 62712887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).