2-(3-methylazetidin-3-yl)oxy-N-propylacetamide

C9H18N2O2 — CID 83065903

IUPAC2-(3-methylazetidin-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C9H18N2O2/c1-3-4-11-8(12)5-13-9(2)6-10-7-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyFLBIVELYIHOZOK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide

2-(3-methylazetidin-3-yl)oxy-N-propylacetamide (PubChem CID 83065903) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-propylacetamide
PubChem CID83065903
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C9H18N2O2/c1-3-4-11-8(12)5-13-9(2)6-10-7-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyFLBIVELYIHOZOK-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide (CID 83065903) is 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide is CCCNC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide?
The InChIKey is FLBIVELYIHOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-11-8(12)5-13-9(2)6-10-7-9/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide?
2-(3-methylazetidin-3-yl)oxy-N-propylacetamide has a molecular weight of 186.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-propylacetamide is sourced from PubChem (CID 83065903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).