tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C16H23NO5 — CID 135005877

IUPACtert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H23NO5/c1-15(2,3)21-13(19)17(14(20)22-16(4,5)6)11-7-9-12(18)10-8-11/h7-10,18H,1-6H3
InChIKeySGRBYZASNWJTOH-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.07
Rot. Bonds1

About tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 135005877) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID135005877
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nametert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H23NO5/c1-15(2,3)21-13(19)17(14(20)22-16(4,5)6)11-7-9-12(18)10-8-11/h7-10,18H,1-6H3
InChIKeySGRBYZASNWJTOH-UHFFFAOYSA-N
XLogP4.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 135005877) is tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is SGRBYZASNWJTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-15(2,3)21-13(19)17(14(20)22-16(4,5)6)11-7-9-12(18)10-8-11/h7-10,18H,1-6H3.
What are the key properties of tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 309.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 135005877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).