3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

C20H28N2O2 — CID 139383182

IUPAC3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C1CCC1)C2
InChIInChI=1S/C20H28N2O2/c1-24-20(15-6-2-5-14(11-15)19(21)23)16-7-3-8-17(20)13-22(12-16)18-9-4-10-18/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3,(H2,21,23)
InChIKeyLFYNFWKTVIEWEI-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.91
Rot. Bonds4

About 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (PubChem CID 139383182) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.

Molecular Properties

Compound Name3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
PubChem CID139383182
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C1CCC1)C2
InChIInChI=1S/C20H28N2O2/c1-24-20(15-6-2-5-14(11-15)19(21)23)16-7-3-8-17(20)13-22(12-16)18-9-4-10-18/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3,(H2,21,23)
InChIKeyLFYNFWKTVIEWEI-UHFFFAOYSA-N
XLogP2.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The IUPAC name of 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (CID 139383182) is 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.
What is the SMILES notation for 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The canonical SMILES for 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C1CCC1)C2.
What is the InChIKey of 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The InChIKey is LFYNFWKTVIEWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-20(15-6-2-5-14(11-15)19(21)23)16-7-3-8-17(20)13-22(12-16)18-9-4-10-18/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3,(H2,21,23).
What are the key properties of 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is sourced from PubChem (CID 139383182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).