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

C10H18N2O2 — CID 102656484

IUPACN-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-5-12(3)9(13)6-14-10(2)7-11-8-10/h4,11H,1,5-8H2,2-3H3
InChIKeyJCQXQCFBPDTOTG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.01
Rot. Bonds5

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

N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide (PubChem CID 102656484) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
PubChem CID102656484
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-5-12(3)9(13)6-14-10(2)7-11-8-10/h4,11H,1,5-8H2,2-3H3
InChIKeyJCQXQCFBPDTOTG-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.01
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,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 N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The IUPAC name of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide (CID 102656484) is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide.
What is the SMILES notation for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The canonical SMILES for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide is C=CCN(C)C(=O)COC1(C)CNC1.
What is the InChIKey of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The InChIKey is JCQXQCFBPDTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-12(3)9(13)6-14-10(2)7-11-8-10/h4,11H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide is sourced from PubChem (CID 102656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).