3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

C19H28N2O2 — CID 139383202

IUPAC3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C19H28N2O2/c1-13(2)21-11-16-8-5-9-17(12-21)19(16,23-3)15-7-4-6-14(10-15)18(20)22/h4,6-7,10,13,16-17H,5,8-9,11-12H2,1-3H3,(H2,20,22)
InChIKeyZBGQCNDJGXRWHL-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds4

About 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (PubChem CID 139383202) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.

Molecular Properties

Compound Name3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
PubChem CID139383202
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C19H28N2O2/c1-13(2)21-11-16-8-5-9-17(12-21)19(16,23-3)15-7-4-6-14(10-15)18(20)22/h4,6-7,10,13,16-17H,5,8-9,11-12H2,1-3H3,(H2,20,22)
InChIKeyZBGQCNDJGXRWHL-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The IUPAC name of 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (CID 139383202) is 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.
What is the SMILES notation for 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The canonical SMILES for 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C(C)C)C2.
What is the InChIKey of 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The InChIKey is ZBGQCNDJGXRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)21-11-16-8-5-9-17(12-21)19(16,23-3)15-7-4-6-14(10-15)18(20)22/h4,6-7,10,13,16-17H,5,8-9,11-12H2,1-3H3,(H2,20,22).
What are the key properties of 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is sourced from PubChem (CID 139383202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).