N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide

C12H22N2O2 — CID 102655704

IUPACN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-5-14(6-10(2)3)11(15)7-16-12(4)8-13-9-12/h13H,2,5-9H2,1,3-4H3
InChIKeyWXBQBLYZXYDYPX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide (PubChem CID 102655704) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide
PubChem CID102655704
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-5-14(6-10(2)3)11(15)7-16-12(4)8-13-9-12/h13H,2,5-9H2,1,3-4H3
InChIKeyWXBQBLYZXYDYPX-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

N-ethyl-2-[(2-methylpropan-2-yl)oxy]-N-(2-methylprop-2-enyl)acetamide
CID 89565653
2-(azetidin-3-yloxy)-N-(prop-2-en-1-yl)propanamide
CID 63106264
2-(2-aminoethoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 79463290
2-(3-methylazetidin-3-yl)oxy-N-(2-methylpropyl)acetamide
CID 83065338
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-propylacetamide
CID 83065903
N-butyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065906
2-(3-Methylazetidin-3-yl)oxy-1-morpholin-4-ylethanone
CID 83065914
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
CID 83066066
N,N-dimethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066253
N,N-diethyl-2-(3-methylazetidin-3-yl)oxypropanamide
CID 83066422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide (CID 102655704) is N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)COC1(C)CNC1.
What is the InChIKey of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is WXBQBLYZXYDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-14(6-10(2)3)11(15)7-16-12(4)8-13-9-12/h13H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide 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 N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 102655704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).