4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide

C23H26N2O2 — CID 18545701

IUPAC4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-2-24-23(27)17-5-3-15(4-6-17)22(16-7-11-21(26)12-8-16)18-13-19-9-10-20(14-18)25-19/h3-8,11-12,19-20,25-26H,2,9-10,13-14H2,1H3,(H,24,27)
InChIKeyAJSSYKQNNVWKLL-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.86
Rot. Bonds4

About 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide

4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide (PubChem CID 18545701) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide
PubChem CID18545701
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-2-24-23(27)17-5-3-15(4-6-17)22(16-7-11-21(26)12-8-16)18-13-19-9-10-20(14-18)25-19/h3-8,11-12,19-20,25-26H,2,9-10,13-14H2,1H3,(H,24,27)
InChIKeyAJSSYKQNNVWKLL-UHFFFAOYSA-N
XLogP3.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide (CID 18545701) is 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide?
The InChIKey is AJSSYKQNNVWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-24-23(27)17-5-3-15(4-6-17)22(16-7-11-21(26)12-8-16)18-13-19-9-10-20(14-18)25-19/h3-8,11-12,19-20,25-26H,2,9-10,13-14H2,1H3,(H,24,27).
What are the key properties of 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide?
4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-azabicyclo[3.2.1]octan-3-ylidene-(4-hydroxyphenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 18545701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).