N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride

C23H26ClN3O2 — CID 173319835

IUPACN-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride
SMILESCC(=O)N(OCC=C1CN2CCC1CC2)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C23H25N3O2.ClH/c1-17(27)26(28-15-12-19-16-24-13-10-18(19)11-14-24)25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25;/h2-9,12,18H,10-11,13-16H2,1H3;1H
InChIKeyMXXOSKPKCBSYBA-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.28
Rot. Bonds4

About N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride

N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride (PubChem CID 173319835) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride
PubChem CID173319835
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride
SMILESCC(=O)N(OCC=C1CN2CCC1CC2)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C23H25N3O2.ClH/c1-17(27)26(28-15-12-19-16-24-13-10-18(19)11-14-24)25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25;/h2-9,12,18H,10-11,13-16H2,1H3;1H
InChIKeyMXXOSKPKCBSYBA-UHFFFAOYSA-N
XLogP4.28
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide
CID 18942270
3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine
CID 67720986
(1E)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)butan-2-one
CID 10607439
3-benzylidene-1-azabicyclo[2.2.2]octane
CID 541530
(3Z)-3-[2-(4-nitrophenyl)ethylidene]-1-azabicyclo[2.2.2]octane;hydrochloride
CID 70471393
methyl 2-carbazol-9-ylacetate
CID 3745219
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279
ethane;9-hydroxycarbazole
CID 153391260
(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one
CID 10749562
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
(2Z)-2-[(1-acetylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 71580729

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride (CID 173319835) is N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride is CC(=O)N(OCC=C1CN2CCC1CC2)n1c2ccccc2c2ccccc21.Cl.
What is the InChIKey of N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride?
The InChIKey is MXXOSKPKCBSYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.ClH/c1-17(27)26(28-15-12-19-16-24-13-10-18(19)11-14-24)25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25;/h2-9,12,18H,10-11,13-16H2,1H3;1H.
What are the key properties of N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride?
N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride is sourced from PubChem (CID 173319835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).