tert-butyl N,N-diphenylcarbamate

C17H19NO2 — CID 11471195

IUPACtert-butyl N,N-diphenylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyQJONCGVUGJUWJQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.76
Rot. Bonds2

About tert-butyl N,N-diphenylcarbamate

tert-butyl N,N-diphenylcarbamate (PubChem CID 11471195) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N,N-diphenylcarbamate.

Molecular Properties

Compound Nametert-butyl N,N-diphenylcarbamate
PubChem CID11471195
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N,N-diphenylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyQJONCGVUGJUWJQ-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-diphenylcarbamate?
The IUPAC name of tert-butyl N,N-diphenylcarbamate (CID 11471195) is tert-butyl N,N-diphenylcarbamate.
What is the SMILES notation for tert-butyl N,N-diphenylcarbamate?
The canonical SMILES for tert-butyl N,N-diphenylcarbamate is CC(C)(C)OC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N,N-diphenylcarbamate?
The InChIKey is QJONCGVUGJUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)20-16(19)18(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of tert-butyl N,N-diphenylcarbamate?
tert-butyl N,N-diphenylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-diphenylcarbamate is sourced from PubChem (CID 11471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).