2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide

C19H26N2O2 — CID 14838270

IUPAC2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc3c(c1)OC(C)(C)C3)C2
InChIInChI=1S/C19H26N2O2/c1-19(2)11-13-5-4-12(8-17(13)23-19)18(22)20-14-9-15-6-7-16(10-14)21(15)3/h4-5,8,14-16H,6-7,9-11H2,1-3H3,(H,20,22)
InChIKeyDUBLWRYEIGALGI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.76
Rot. Bonds2

About 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide

2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 14838270) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID14838270
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc3c(c1)OC(C)(C)C3)C2
InChIInChI=1S/C19H26N2O2/c1-19(2)11-13-5-4-12(8-17(13)23-19)18(22)20-14-9-15-6-7-16(10-14)21(15)3/h4-5,8,14-16H,6-7,9-11H2,1-3H3,(H,20,22)
InChIKeyDUBLWRYEIGALGI-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide (CID 14838270) is 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide is CN1C2CCC1CC(NC(=O)c1ccc3c(c1)OC(C)(C)C3)C2.
What is the InChIKey of 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is DUBLWRYEIGALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2)11-13-5-4-12(8-17(13)23-19)18(22)20-14-9-15-6-7-16(10-14)21(15)3/h4-5,8,14-16H,6-7,9-11H2,1-3H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide?
2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 14838270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).