2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide

C14H22N2O2S — CID 102611497

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)COC1(C)CNC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-3-5-11(12-6-4-7-19-12)16-13(17)8-18-14(2)9-15-10-14/h4,6-7,11,15H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyBBJKHGQWHBBBKS-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.08
Rot. Bonds7

About 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide (PubChem CID 102611497) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
PubChem CID102611497
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)COC1(C)CNC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-3-5-11(12-6-4-7-19-12)16-13(17)8-18-14(2)9-15-10-14/h4,6-7,11,15H,3,5,8-10H2,1-2H3,(H,16,17)
InChIKeyBBJKHGQWHBBBKS-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide (CID 102611497) is 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide is CCCC(NC(=O)COC1(C)CNC1)c1cccs1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide?
The InChIKey is BBJKHGQWHBBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-5-11(12-6-4-7-19-12)16-13(17)8-18-14(2)9-15-10-14/h4,6-7,11,15H,3,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 102611497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).