(4-tert-butylphenyl) carbamate

C11H15NO2 — CID 3040323

IUPAC(4-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKeyCGAWJRUQVUFKNM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.44
Rot. Bonds1

About (4-tert-butylphenyl) carbamate

(4-tert-butylphenyl) carbamate (PubChem CID 3040323) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4-tert-butylphenyl) carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) carbamate
PubChem CID3040323
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4-tert-butylphenyl) carbamate
SMILESCC(C)(C)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKeyCGAWJRUQVUFKNM-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) carbamate?
The IUPAC name of (4-tert-butylphenyl) carbamate (CID 3040323) is (4-tert-butylphenyl) carbamate.
What is the SMILES notation for (4-tert-butylphenyl) carbamate?
The canonical SMILES for (4-tert-butylphenyl) carbamate is CC(C)(C)c1ccc(OC(N)=O)cc1.
What is the InChIKey of (4-tert-butylphenyl) carbamate?
The InChIKey is CGAWJRUQVUFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H2,12,13).
What are the key properties of (4-tert-butylphenyl) carbamate?
(4-tert-butylphenyl) carbamate has a molecular weight of 193.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) carbamate is sourced from PubChem (CID 3040323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).