N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C12H22N2O3 — CID 114183708

IUPACN-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CCCOCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O3/c1-3-4-6-16-7-5-14-11(15)8-17-12(2)9-13-10-12/h3,13H,1,4-10H2,2H3,(H,14,15)
InChIKeyOJEJKKXOWUZKPI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.07
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 114183708) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID114183708
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CCCOCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O3/c1-3-4-6-16-7-5-14-11(15)8-17-12(2)9-13-10-12/h3,13H,1,4-10H2,2H3,(H,14,15)
InChIKeyOJEJKKXOWUZKPI-UHFFFAOYSA-N
XLogP0.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
2-but-3-enoxy-N-ethylpropanamide
CID 89129102
2-ethoxy-2-methyl-N-prop-2-enylpropanamide
CID 178010544
2-(azetidin-3-yloxy)-N-(prop-2-en-1-yl)propanamide
CID 63106264
2-(3-methylazetidin-3-yl)oxy-N-propylacetamide
CID 83065903
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
CID 83066066
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 83066745
N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067268
N-(2-methoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067440
2-(3-methylazetidin-3-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 102610714
N-(2-ethoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611126

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 114183708) is N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide is C=CCCOCCNC(=O)COC1(C)CNC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is OJEJKKXOWUZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-6-16-7-5-14-11(15)8-17-12(2)9-13-10-12/h3,13H,1,4-10H2,2H3,(H,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 242.32 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 114183708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).