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

C19H28N2O2 — CID 139383193

IUPAC3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCCCN1CC2CCCC(C1)C2(OC)c1cccc(C(N)=O)c1
InChIInChI=1S/C19H28N2O2/c1-3-10-21-12-16-8-5-9-17(13-21)19(16,23-2)15-7-4-6-14(11-15)18(20)22/h4,6-7,11,16-17H,3,5,8-10,12-13H2,1-2H3,(H2,20,22)
InChIKeyQDGSMSKHTDXRIK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds5

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

3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (PubChem CID 139383193) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.

Molecular Properties

Compound Name3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
PubChem CID139383193
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCCCN1CC2CCCC(C1)C2(OC)c1cccc(C(N)=O)c1
InChIInChI=1S/C19H28N2O2/c1-3-10-21-12-16-8-5-9-17(13-21)19(16,23-2)15-7-4-6-14(11-15)18(20)22/h4,6-7,11,16-17H,3,5,8-10,12-13H2,1-2H3,(H2,20,22)
InChIKeyQDGSMSKHTDXRIK-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)benzamide
CID 11521945
3-((1R,5S,9r)-3-((1-fluorocyclopropyl)methyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383186
3-((1R,5S,9r)-3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383278
3-[3-(3,3-Difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139383292
3-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383428
3-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383540
3-((1R,5S,9r)-9-methoxy-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139387223
3-(4-Propylmorpholin-2-yl)benzamide
CID 44443914
Synthesis of (1R,5S,9r)-9-(3-iodophenyl)-3-methyl-9-(2,2,2-trifluoroethoxy)-3-azabicyclo[3.3.1]nonane
CID 139383512
Synthesis of 2-fluoro-3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl trifluoromethanesulfonate
CID 139383548
Synthesis of (1R,5S,9r)-3-(cyclopropylmethyl)-9-ethoxy-9-(3-iodophenyl)-3-azabicyclo[3.3.1]nonane
CID 139383175
Synthesis of 1-((tetrahydro-2H-pyran-2-yl)oxy)cyclopropanecarboxylic acid
CID 139383180

Frequently Asked Questions

What is the IUPAC name of 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The IUPAC name of 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (CID 139383193) is 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.
What is the SMILES notation for 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The canonical SMILES for 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is CCCN1CC2CCCC(C1)C2(OC)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The InChIKey is QDGSMSKHTDXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-10-21-12-16-8-5-9-17(13-21)19(16,23-2)15-7-4-6-14(11-15)18(20)22/h4,6-7,11,16-17H,3,5,8-10,12-13H2,1-2H3,(H2,20,22).
What are the key properties of 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is sourced from PubChem (CID 139383193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).