tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

C12H22N2O4 — CID 72574886

IUPACtert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)NC=CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)
InChIKeyXSSFACKQPNISBT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (PubChem CID 72574886) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
PubChem CID72574886
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)NC=CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)
InChIKeyXSSFACKQPNISBT-UHFFFAOYSA-N
XLogP2.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (CID 72574886) is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is CC(C)(C)OC(=O)NC=CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The InChIKey is XSSFACKQPNISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is sourced from PubChem (CID 72574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).