tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate

C11H19NO4 — CID 86005946

IUPACtert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-7-12(9(13)8-15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyBNPJSXBERKLKEN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate

tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate (PubChem CID 86005946) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate
PubChem CID86005946
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-7-12(9(13)8-15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyBNPJSXBERKLKEN-UHFFFAOYSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate (CID 86005946) is tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate is C=CCN(C(=O)COC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate?
The InChIKey is BNPJSXBERKLKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7-12(9(13)8-15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate has a molecular weight of 229.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyacetyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 86005946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).