2-(azetidin-3-yl)-N-octylpropanamide

C14H28N2O — CID 116678669

IUPAC2-(azetidin-3-yl)-N-octylpropanamide
SMILESCCCCCCCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-16-14(17)12(2)13-10-15-11-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBFBLVOQDUCNBPD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds9

About 2-(azetidin-3-yl)-N-octylpropanamide

2-(azetidin-3-yl)-N-octylpropanamide (PubChem CID 116678669) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-octylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-octylpropanamide
PubChem CID116678669
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(azetidin-3-yl)-N-octylpropanamide
SMILESCCCCCCCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-16-14(17)12(2)13-10-15-11-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBFBLVOQDUCNBPD-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-octylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-octylpropanamide (CID 116678669) is 2-(azetidin-3-yl)-N-octylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-octylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-octylpropanamide is CCCCCCCCNC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-octylpropanamide?
The InChIKey is BFBLVOQDUCNBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-5-6-7-8-9-16-14(17)12(2)13-10-15-11-13/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-octylpropanamide?
2-(azetidin-3-yl)-N-octylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-octylpropanamide is sourced from PubChem (CID 116678669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).