N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide

C20H26N2O2 — CID 167959391

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC1CCN2CCC1C2
InChIInChI=1S/C20H26N2O2/c1-2-3-7-18-19(15-6-4-5-8-17(15)24-18)20(23)21-16-10-12-22-11-9-14(16)13-22/h4-6,8,14,16H,2-3,7,9-13H2,1H3,(H,21,23)
InChIKeyUZAJVUMKKABULT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds5

About N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide

N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide (PubChem CID 167959391) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
PubChem CID167959391
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC1CCN2CCC1C2
InChIInChI=1S/C20H26N2O2/c1-2-3-7-18-19(15-6-4-5-8-17(15)24-18)20(23)21-16-10-12-22-11-9-14(16)13-22/h4-6,8,14,16H,2-3,7,9-13H2,1H3,(H,21,23)
InChIKeyUZAJVUMKKABULT-UHFFFAOYSA-N
XLogP3.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide (CID 167959391) is N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NC1CCN2CCC1C2.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide?
The InChIKey is UZAJVUMKKABULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-3-7-18-19(15-6-4-5-8-17(15)24-18)20(23)21-16-10-12-22-11-9-14(16)13-22/h4-6,8,14,16H,2-3,7,9-13H2,1H3,(H,21,23).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide?
N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167959391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).