2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C13H21F3N2O2 — CID 102611051

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC1(OCC(=O)NC2CCC(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C13H21F3N2O2/c1-12(7-17-8-12)20-6-11(19)18-10-4-2-9(3-5-10)13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,19)
InChIKeyHUPISTDQZMOUOX-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.60
Rot. Bonds4

About 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 102611051) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID102611051
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC1(OCC(=O)NC2CCC(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C13H21F3N2O2/c1-12(7-17-8-12)20-6-11(19)18-10-4-2-9(3-5-10)13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,19)
InChIKeyHUPISTDQZMOUOX-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.60
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-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 102611051) is 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide is CC1(OCC(=O)NC2CCC(C(F)(F)F)CC2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is HUPISTDQZMOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(7-17-8-12)20-6-11(19)18-10-4-2-9(3-5-10)13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.60, 4 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-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 102611051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).