N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide

C16H18N2O2 — CID 10236295

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1
InChIKeyCGFMUJGGEUGESY-BXUZGUMPSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide (PubChem CID 10236295) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
PubChem CID10236295
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1
InChIKeyCGFMUJGGEUGESY-BXUZGUMPSA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide (CID 10236295) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide?
The InChIKey is CGFMUJGGEUGESY-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10236295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).