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

C11H21NO3 — CID 103340512

IUPACtert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-12(8-9-14-5)10(13)15-11(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyCBLAKKLULVTOKC-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.06
Rot. Bonds5

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

tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate (PubChem CID 103340512) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
PubChem CID103340512
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCOC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-12(8-9-14-5)10(13)15-11(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyCBLAKKLULVTOKC-UHFFFAOYSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
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 tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate (CID 103340512) is tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate is C=CCN(CCOC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
The InChIKey is CBLAKKLULVTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-7-12(8-9-14-5)10(13)15-11(2,3)4/h6H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 103340512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).