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

C19H28N2O2 — CID 3217973

IUPAC3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C19H28N2O2/c1-3-10-21-16-7-5-8-17(21)13-15(12-16)20-19(22)14-6-4-9-18(11-14)23-2/h4,6,9,11,15-17H,3,5,7-8,10,12-13H2,1-2H3,(H,20,22)
InChIKeyWVYMGYFXCGMDSU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.22
Rot. Bonds5

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

3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 3217973) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID3217973
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C19H28N2O2/c1-3-10-21-16-7-5-8-17(21)13-15(12-16)20-19(22)14-6-4-9-18(11-14)23-2/h4,6,9,11,15-17H,3,5,7-8,10,12-13H2,1-2H3,(H,20,22)
InChIKeyWVYMGYFXCGMDSU-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2,3-Dimethoxy-N-(9-(4-fluorobenzyl)-9-azabicyclo(3.3.1)nonan-3-yl)benzamide
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CID 1445157

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 3217973) is 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CCCN1C2CCCC1CC(NC(=O)c1cccc(OC)c1)C2.
What is the InChIKey of 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is WVYMGYFXCGMDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-10-21-16-7-5-8-17(21)13-15(12-16)20-19(22)14-6-4-9-18(11-14)23-2/h4,6,9,11,15-17H,3,5,7-8,10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 3217973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).