tert-butyl N-benzoylcarbamate

C12H15NO3 — CID 13203866

IUPACtert-butyl N-benzoylcarbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyGWHAAIDHDCOFOC-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl N-benzoylcarbamate

tert-butyl N-benzoylcarbamate (PubChem CID 13203866) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is tert-butyl N-benzoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzoylcarbamate
PubChem CID13203866
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nametert-butyl N-benzoylcarbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyGWHAAIDHDCOFOC-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzoylcarbamate?
The IUPAC name of tert-butyl N-benzoylcarbamate (CID 13203866) is tert-butyl N-benzoylcarbamate.
What is the SMILES notation for tert-butyl N-benzoylcarbamate?
The canonical SMILES for tert-butyl N-benzoylcarbamate is CC(C)(C)OC(=O)NC(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-benzoylcarbamate?
The InChIKey is GWHAAIDHDCOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-benzoylcarbamate?
tert-butyl N-benzoylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzoylcarbamate is sourced from PubChem (CID 13203866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).