tert-butyl N-benzyl-N-ethenylcarbamate

C14H19NO2 — CID 11128211

IUPACtert-butyl N-benzyl-N-ethenylcarbamate
SMILESC=CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-5-15(13(16)17-14(2,3)4)11-12-9-7-6-8-10-12/h5-10H,1,11H2,2-4H3
InChIKeyGIWHBJSOVUGNAU-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl N-benzyl-N-ethenylcarbamate

tert-butyl N-benzyl-N-ethenylcarbamate (PubChem CID 11128211) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-ethenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-ethenylcarbamate
PubChem CID11128211
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-benzyl-N-ethenylcarbamate
SMILESC=CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-5-15(13(16)17-14(2,3)4)11-12-9-7-6-8-10-12/h5-10H,1,11H2,2-4H3
InChIKeyGIWHBJSOVUGNAU-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-ethenylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-ethenylcarbamate (CID 11128211) is tert-butyl N-benzyl-N-ethenylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-ethenylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-ethenylcarbamate is C=CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-ethenylcarbamate?
The InChIKey is GIWHBJSOVUGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15(13(16)17-14(2,3)4)11-12-9-7-6-8-10-12/h5-10H,1,11H2,2-4H3.
What are the key properties of tert-butyl N-benzyl-N-ethenylcarbamate?
tert-butyl N-benzyl-N-ethenylcarbamate has a molecular weight of 233.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-ethenylcarbamate is sourced from PubChem (CID 11128211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).