tert-butyl N-benzylcarbamate

C12H17NO2 — CID 4615331

IUPACtert-butyl N-benzylcarbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyFWOBBEOKTITUHK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl N-benzylcarbamate

tert-butyl N-benzylcarbamate (PubChem CID 4615331) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is tert-butyl N-benzylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzylcarbamate
PubChem CID4615331
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nametert-butyl N-benzylcarbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyFWOBBEOKTITUHK-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzylcarbamate?
The IUPAC name of tert-butyl N-benzylcarbamate (CID 4615331) is tert-butyl N-benzylcarbamate.
What is the SMILES notation for tert-butyl N-benzylcarbamate?
The canonical SMILES for tert-butyl N-benzylcarbamate is CC(C)(C)OC(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-benzylcarbamate?
The InChIKey is FWOBBEOKTITUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-benzylcarbamate?
tert-butyl N-benzylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzylcarbamate is sourced from PubChem (CID 4615331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).