7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide

C15H21NO2 — CID 10610508

IUPAC7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)cc2c1OCC2(C)C
InChIInChI=1S/C15H21NO2/c1-14(2,3)10-6-9(13(16)17)7-11-12(10)18-8-15(11,4)5/h6-7H,8H2,1-5H3,(H2,16,17)
InChIKeyWQBFVOLEPNODMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds1

About 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide

7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide (PubChem CID 10610508) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
PubChem CID10610508
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)cc2c1OCC2(C)C
InChIInChI=1S/C15H21NO2/c1-14(2,3)10-6-9(13(16)17)7-11-12(10)18-8-15(11,4)5/h6-7H,8H2,1-5H3,(H2,16,17)
InChIKeyWQBFVOLEPNODMQ-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The IUPAC name of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide (CID 10610508) is 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide is CC(C)(C)c1cc(C(N)=O)cc2c1OCC2(C)C.
What is the InChIKey of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The InChIKey is WQBFVOLEPNODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)10-6-9(13(16)17)7-11-12(10)18-8-15(11,4)5/h6-7H,8H2,1-5H3,(H2,16,17).
What are the key properties of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10610508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).