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

C10H18N2O2 — CID 102611666

IUPACN-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CC(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-8(2)12-9(13)5-14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyXTETZRXVDQOGOY-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds5

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

N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611666) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611666
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CC(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-8(2)12-9(13)5-14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyXTETZRXVDQOGOY-UHFFFAOYSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
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
N-butan-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065418
2-(3-methylazetidin-3-yl)oxy-N-propan-2-ylacetamide
CID 83065748
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-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
2-(3-methylazetidin-3-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 102610714

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611666) is N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide is C=CC(C)NC(=O)COC1(C)CNC1.
What is the InChIKey of N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is XTETZRXVDQOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-8(2)12-9(13)5-14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).