tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate

C15H21NO3 — CID 69419090

IUPACtert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-11-8-6-7-10-9-15(4,5)18-12(10)11/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyPQIKJSRIFMVKED-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate

tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate (PubChem CID 69419090) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
PubChem CID69419090
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-11-8-6-7-10-9-15(4,5)18-12(10)11/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyPQIKJSRIFMVKED-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
CID 134093208
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
CID 166412050
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
CID 154868938
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
dimethyl 7,15-bis[(2-methylpropan-2-yl)oxycarbonylamino]tetracyclo[7.7.2.05,17.013,18]octadeca-1(17),2,4,9,11,13(18)-hexaene-7,15-dicarboxylate
CID 100949582
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
CID 164944410

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate (CID 69419090) is tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate is CC(C)(C)OC(=O)Nc1cccc2c1OC(C)(C)C2.
What is the InChIKey of tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate?
The InChIKey is PQIKJSRIFMVKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-11-8-6-7-10-9-15(4,5)18-12(10)11/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate?
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate is sourced from PubChem (CID 69419090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).