tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate

C18H25NO4 — CID 91190986

IUPACtert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate
SMILESCc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C18H25NO4/c1-9-10(2)14-12(15(20)18(7,8)22-14)11(3)13(9)19-16(21)23-17(4,5)6/h1-8H3,(H,19,21)
InChIKeyNJZLKTNBOFBLKA-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.31
Rot. Bonds1

About tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate

tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate (PubChem CID 91190986) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate
PubChem CID91190986
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate
SMILESCc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C18H25NO4/c1-9-10(2)14-12(15(20)18(7,8)22-14)11(3)13(9)19-16(21)23-17(4,5)6/h1-8H3,(H,19,21)
InChIKeyNJZLKTNBOFBLKA-UHFFFAOYSA-N
XLogP4.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2,2,4,6,7-pentamethyl-1-benzofuran-3-one
CID 22935579
3-[2,3,5,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoic acid
CID 57137772
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate
CID 147916897
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
CID 117274287
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate (CID 91190986) is tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate is Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)C(=O)C(C)(C)O2.
What is the InChIKey of tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate?
The InChIKey is NJZLKTNBOFBLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-9-10(2)14-12(15(20)18(7,8)22-14)11(3)13(9)19-16(21)23-17(4,5)6/h1-8H3,(H,19,21).
What are the key properties of tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate?
tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate has a molecular weight of 319.40 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,4,6,7-pentamethyl-3-oxo-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 91190986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).