2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide

C12H22N2O2 — CID 102656485

IUPAC2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-4-6-14(7-5-2)11(15)8-16-12(3)9-13-10-12/h4,13H,1,5-10H2,2-3H3
InChIKeyKQTPGNIZBZMTLL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds7

About 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide

2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide (PubChem CID 102656485) 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-prop-2-enyl-N-propylacetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide
PubChem CID102656485
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-4-6-14(7-5-2)11(15)8-16-12(3)9-13-10-12/h4,13H,1,5-10H2,2-3H3
InChIKeyKQTPGNIZBZMTLL-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
2-ethoxy-2-methyl-N-prop-2-enylpropanamide
CID 178010544
N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide
CID 178011544
N-prop-2-enyl-2-[2-(propylamino)ethoxy]acetamide
CID 62335937
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-enylpropanamide
CID 62336264
2-[2-(ethylamino)ethoxy]-N-prop-2-enylacetamide
CID 62336487
2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide
CID 62336988
N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide
CID 62337052
2-[2-(ethylamino)ethoxy]-N-prop-2-enylpropanamide
CID 62338219
2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide
CID 62338375
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-enylacetamide
CID 62338387

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide (CID 102656485) is 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide is C=CCN(CCC)C(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide?
The InChIKey is KQTPGNIZBZMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-14(7-5-2)11(15)8-16-12(3)9-13-10-12/h4,13H,1,5-10H2,2-3H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide?
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 7 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-prop-2-enyl-N-propylacetamide is sourced from PubChem (CID 102656485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).