9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide

C18H26N2O2 — CID 171950969

IUPAC9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESCON(C)C(=O)C1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-19(22-2)18(21)15-11-16-9-6-10-17(12-15)20(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-17H,6,9-13H2,1-2H3
InChIKeyBNVFTJZRMRINNT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.84
Rot. Bonds4

About 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide

9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 171950969) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID171950969
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESCON(C)C(=O)C1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-19(22-2)18(21)15-11-16-9-6-10-17(12-15)20(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-17H,6,9-13H2,1-2H3
InChIKeyBNVFTJZRMRINNT-UHFFFAOYSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-pyrimidin-2-ylmethanone
CID 171937587
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
CID 171946870
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylbut-2-en-1-one
CID 171938309
1-adamantyl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941569
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,4-dimethylphenyl)methanone
CID 171944441
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylprop-2-en-1-one
CID 171938910
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 171940358

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide (CID 171950969) is 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide is CON(C)C(=O)C1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is BNVFTJZRMRINNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19(22-2)18(21)15-11-16-9-6-10-17(12-15)20(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-17H,6,9-13H2,1-2H3.
What are the key properties of 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide?
9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 171950969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).