N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide

C12H20N2O2 — CID 102656284

IUPACN-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)NC2CC=CCC2)CNC1
InChIInChI=1S/C12H20N2O2/c1-12(8-13-9-12)16-7-11(15)14-10-5-3-2-4-6-10/h2-3,10,13H,4-9H2,1H3,(H,14,15)
InChIKeyHPLHMBYDTPWWJR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.59
Rot. Bonds4

About N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide

N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656284) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656284
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)NC2CC=CCC2)CNC1
InChIInChI=1S/C12H20N2O2/c1-12(8-13-9-12)16-7-11(15)14-10-5-3-2-4-6-10/h2-3,10,13H,4-9H2,1H3,(H,14,15)
InChIKeyHPLHMBYDTPWWJR-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.59
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

N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
N-cyclohex-3-en-1-yl-2-ethoxyacetamide
CID 64458097
N-cyclohex-3-en-1-yl-2-methoxyacetamide
CID 64460707
2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide
CID 79479460
N-[(1S)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
CID 95205314
N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
CID 95205315
N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611666
2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
CID 102611695
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
CID 102611697
2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide
CID 102656590
N-but-3-enyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656591
N-cyclopent-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656594

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656284) is N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)NC2CC=CCC2)CNC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is HPLHMBYDTPWWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(8-13-9-12)16-7-11(15)14-10-5-3-2-4-6-10/h2-3,10,13H,4-9H2,1H3,(H,14,15).
What are the key properties of N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 224.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).