2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide

C12H22N2O2 — CID 102611466

IUPAC2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC1(C)CNC1)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-14(10(2)3)11(15)7-16-12(4)8-13-9-12/h5,10,13H,1,6-9H2,2-4H3
InChIKeyOMGHUFNMLVWZAZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide

2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide (PubChem CID 102611466) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide
PubChem CID102611466
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC1(C)CNC1)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-14(10(2)3)11(15)7-16-12(4)8-13-9-12/h5,10,13H,1,6-9H2,2-4H3
InChIKeyOMGHUFNMLVWZAZ-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
2-ethoxy-2-methyl-N-prop-2-enylpropanamide
CID 178010544
2-[2-(propan-2-ylamino)ethoxy]-N-prop-2-enylacetamide
CID 62341436
2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide
CID 62341858
2-[2-(propan-2-ylamino)ethoxy]-N-prop-2-enylpropanamide
CID 62343789
2-(azetidin-3-yloxy)-N-(prop-2-en-1-yl)propanamide
CID 63106264
2-(2-aminoethoxy)-N-propan-2-yl-N-prop-2-enylacetamide
CID 79473862
N-butan-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065418
N-ethyl-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065736
N,N-diethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065738
2-(3-methylazetidin-3-yl)oxy-N-propan-2-ylacetamide
CID 83065748
N-cyclopropyl-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065749

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide (CID 102611466) is 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide is C=CCN(C(=O)COC1(C)CNC1)C(C)C.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide?
The InChIKey is OMGHUFNMLVWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-14(10(2)3)11(15)7-16-12(4)8-13-9-12/h5,10,13H,1,6-9H2,2-4H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide?
2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 102611466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).