2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide

C23H25N3O2 — CID 18942270

IUPAC2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide
SMILESNC(=O)Cn1c2ccccc2c2ccc(OC/C=C3\CN4CCC3CC4)cc21
InChIInChI=1S/C23H25N3O2/c24-23(27)15-26-21-4-2-1-3-19(21)20-6-5-18(13-22(20)26)28-12-9-17-14-25-10-7-16(17)8-11-25/h1-6,9,13,16H,7-8,10-12,14-15H2,(H2,24,27)/b17-9+
InChIKeyLASZGVGXSMMTKQ-RQZCQDPDSA-N
MW375.47 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide

2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide (PubChem CID 18942270) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide
PubChem CID18942270
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide
SMILESNC(=O)Cn1c2ccccc2c2ccc(OC/C=C3\CN4CCC3CC4)cc21
InChIInChI=1S/C23H25N3O2/c24-23(27)15-26-21-4-2-1-3-19(21)20-6-5-18(13-22(20)26)28-12-9-17-14-25-10-7-16(17)8-11-25/h1-6,9,13,16H,7-8,10-12,14-15H2,(H2,24,27)/b17-9+
InChIKeyLASZGVGXSMMTKQ-RQZCQDPDSA-N
XLogP3.31
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine
CID 67720986
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9-benzylcarbazole
CID 67720778
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
CID 22829467
N-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-N-carbazol-9-ylacetamide;hydrochloride
CID 173319835
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
CID 157189840
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone
CID 69351214
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
ethyl 2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetate
CID 91559387
ethyl 2-[2-(5-bromopentoxy)carbazol-9-yl]acetate
CID 91291482

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide?
The IUPAC name of 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide (CID 18942270) is 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide.
What is the SMILES notation for 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide?
The canonical SMILES for 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide is NC(=O)Cn1c2ccccc2c2ccc(OC/C=C3\CN4CCC3CC4)cc21.
What is the InChIKey of 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide?
The InChIKey is LASZGVGXSMMTKQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H25N3O2/c24-23(27)15-26-21-4-2-1-3-19(21)20-6-5-18(13-22(20)26)28-12-9-17-14-25-10-7-16(17)8-11-25/h1-6,9,13,16H,7-8,10-12,14-15H2,(H2,24,27)/b17-9+.
What are the key properties of 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide?
2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]acetamide is sourced from PubChem (CID 18942270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).