3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

C19H28N2O — CID 11312642

IUPAC3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESCC(C)CN1CCC2(c3cccc(C(N)=O)c3)CCCC1C2
InChIInChI=1S/C19H28N2O/c1-14(2)13-21-10-9-19(8-4-7-17(21)12-19)16-6-3-5-15(11-16)18(20)22/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H2,20,22)
InChIKeyWSHDVGRJIFWABO-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.33
Rot. Bonds4

About 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (PubChem CID 11312642) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
PubChem CID11312642
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESCC(C)CN1CCC2(c3cccc(C(N)=O)c3)CCCC1C2
InChIInChI=1S/C19H28N2O/c1-14(2)13-21-10-9-19(8-4-7-17(21)12-19)16-6-3-5-15(11-16)18(20)22/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H2,20,22)
InChIKeyWSHDVGRJIFWABO-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The IUPAC name of 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (CID 11312642) is 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.
What is the SMILES notation for 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The canonical SMILES for 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is CC(C)CN1CCC2(c3cccc(C(N)=O)c3)CCCC1C2.
What is the InChIKey of 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The InChIKey is WSHDVGRJIFWABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)13-21-10-9-19(8-4-7-17(21)12-19)16-6-3-5-15(11-16)18(20)22/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H2,20,22).
What are the key properties of 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide has a molecular weight of 300.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is sourced from PubChem (CID 11312642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).