phenyl N-tert-butylcarbamate

C11H15NO2 — CID 2817207

IUPACphenyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-10(13)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyBKVUXKJWTVANMM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.57
Rot. Bonds1

About phenyl N-tert-butylcarbamate

phenyl N-tert-butylcarbamate (PubChem CID 2817207) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is phenyl N-tert-butylcarbamate.

Molecular Properties

Compound Namephenyl N-tert-butylcarbamate
PubChem CID2817207
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namephenyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-10(13)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyBKVUXKJWTVANMM-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-tert-butylcarbamate?
The IUPAC name of phenyl N-tert-butylcarbamate (CID 2817207) is phenyl N-tert-butylcarbamate.
What is the SMILES notation for phenyl N-tert-butylcarbamate?
The canonical SMILES for phenyl N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-tert-butylcarbamate?
The InChIKey is BKVUXKJWTVANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12-10(13)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of phenyl N-tert-butylcarbamate?
phenyl N-tert-butylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-tert-butylcarbamate is sourced from PubChem (CID 2817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).