N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide

C16H23NO2 — CID 10563380

IUPACN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C16H23NO2/c1-10(18)17-11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-19-14/h7-8H,9H2,1-6H3,(H,17,18)
InChIKeyYCCKDSXKAGIMNB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.61
Rot. Bonds1

About N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide

N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide (PubChem CID 10563380) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide
PubChem CID10563380
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C16H23NO2/c1-10(18)17-11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-19-14/h7-8H,9H2,1-6H3,(H,17,18)
InChIKeyYCCKDSXKAGIMNB-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide (CID 10563380) is N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2.
What is the InChIKey of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide?
The InChIKey is YCCKDSXKAGIMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(18)17-11-7-12(15(2,3)4)14-13(8-11)16(5,6)9-19-14/h7-8H,9H2,1-6H3,(H,17,18).
What are the key properties of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide?
N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 10563380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).