2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide

C12H22N2O3 — CID 102611484

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
SMILESCC1(OCC(=O)NCC2CCCCO2)CNC1
InChIInChI=1S/C12H22N2O3/c1-12(8-13-9-12)17-7-11(15)14-6-10-4-2-3-5-16-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyRLLDRFRZTMJVNO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide (PubChem CID 102611484) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
PubChem CID102611484
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
SMILESCC1(OCC(=O)NCC2CCCCO2)CNC1
InChIInChI=1S/C12H22N2O3/c1-12(8-13-9-12)17-7-11(15)14-6-10-4-2-3-5-16-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyRLLDRFRZTMJVNO-UHFFFAOYSA-N
XLogP0.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
CID 102656856
2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
3-(ethylamino)-N-(oxan-2-ylmethyl)butanamide
CID 62832746
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
3-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63142330

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide (CID 102611484) is 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide is CC1(OCC(=O)NCC2CCCCO2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is RLLDRFRZTMJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(8-13-9-12)17-7-11(15)14-6-10-4-2-3-5-16-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 5 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-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 102611484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).