N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide

C18H26N2O2 — CID 652397

IUPACN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-22-13-18(21)19-15-10-16-8-5-9-17(11-15)20(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeyBSEMGHWNBOAXMN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.33
Rot. Bonds5

About N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide

N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide (PubChem CID 652397) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide
PubChem CID652397
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-22-13-18(21)19-15-10-16-8-5-9-17(11-15)20(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeyBSEMGHWNBOAXMN-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide?
The IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide (CID 652397) is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide?
The canonical SMILES for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide is COCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide?
The InChIKey is BSEMGHWNBOAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-13-18(21)19-15-10-16-8-5-9-17(11-15)20(16)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21).
What are the key properties of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide?
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxyacetamide is sourced from PubChem (CID 652397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).