1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate

C23H28N2O2 — CID 90917498

IUPAC1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate
SMILESCCN(c1ccccc1)C(C(=O)OC1CN2CCC1CC2)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-25(20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)23(26)27-21-17-24-15-13-18(21)14-16-24/h3-12,18,21-22H,2,13-17H2,1H3
InChIKeyUYEBCIXSAMPGLF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.89
Rot. Bonds6

About 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate

1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate (PubChem CID 90917498) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate
PubChem CID90917498
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate
SMILESCCN(c1ccccc1)C(C(=O)OC1CN2CCC1CC2)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-25(20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)23(26)27-21-17-24-15-13-18(21)14-16-24/h3-12,18,21-22H,2,13-17H2,1H3
InChIKeyUYEBCIXSAMPGLF-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluoro-N-methylanilino)-2-phenylacetate
CID 67124835
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-phenylpropanoate
CID 144638538
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-ethyl-N-phenylcarbamate
CID 118563722
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-phenylacetate
CID 141054265
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2,3-diphenylpropanoate
CID 66958912
1-azabicyclo[2.2.2]octan-3-yl 2-(methoxycarbonylamino)-2-phenylacetate
CID 67607569
1-azabicyclo[2.2.2]octan-3-yl N-(2-methylpropoxy)-N-phenylcarbamate
CID 175352064
1-azabicyclo[2.2.2]octan-3-yl 5-iodo-2-phenylpent-4-enoate
CID 54225717
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(tetrazol-1-yl)acetate
CID 67901153
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
CID 67605836
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(cyclohexylamino)-2-phenylacetate;ethane
CID 160770790

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate (CID 90917498) is 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate is CCN(c1ccccc1)C(C(=O)OC1CN2CCC1CC2)c1ccccc1.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate?
The InChIKey is UYEBCIXSAMPGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-25(20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)23(26)27-21-17-24-15-13-18(21)14-16-24/h3-12,18,21-22H,2,13-17H2,1H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate?
1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate has a molecular weight of 364.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl 2-(N-ethylanilino)-2-phenylacetate is sourced from PubChem (CID 90917498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).