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

C10H18N2O2 — CID 102656591

IUPACN-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-3-4-5-12-9(13)6-14-10(2)7-11-8-10/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyUPKRQSYQOZDPMI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds6

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

N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656591) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656591
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC=CCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-3-4-5-12-9(13)6-14-10(2)7-11-8-10/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyUPKRQSYQOZDPMI-UHFFFAOYSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': '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
N-[2-(2-oxobutoxy)ethyl]but-3-enamide
CID 123215100
2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide
CID 146338624
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-enylacetamide
CID 62338387
2-(azetidin-3-yloxy)-N-(prop-2-en-1-yl)acetamide
CID 63104583
2-(azetidin-3-yloxy)-N-(prop-2-en-1-yl)propanamide
CID 63106264
2-(3-methylazetidin-3-yl)oxy-N-(2-methylpropyl)acetamide
CID 83065338

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656591) is N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide is C=CCCNC(=O)COC1(C)CNC1.
What is the InChIKey of N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is UPKRQSYQOZDPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-5-12-9(13)6-14-10(2)7-11-8-10/h3,11H,1,4-8H2,2H3,(H,12,13).
What are the key properties of N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).