N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide

C13H24N2O2 — CID 102656487

IUPACN-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-7-15(12(2,3)4)11(16)8-17-13(5)9-14-10-13/h6,14H,1,7-10H2,2-5H3
InChIKeyMYGFDYYQCFMWPJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds5

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

N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide (PubChem CID 102656487) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
PubChem CID102656487
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-7-15(12(2,3)4)11(16)8-17-13(5)9-14-10-13/h6,14H,1,7-10H2,2-5H3
InChIKeyMYGFDYYQCFMWPJ-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The IUPAC name of N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide (CID 102656487) is N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The canonical SMILES for N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide is C=CCN(C(=O)COC1(C)CNC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
The InChIKey is MYGFDYYQCFMWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-7-15(12(2,3)4)11(16)8-17-13(5)9-14-10-13/h6,14H,1,7-10H2,2-5H3.
What are the key properties of N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide?
N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide is sourced from PubChem (CID 102656487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).