3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C22H26N2O2 — CID 127479475

IUPAC3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCc1cccc(-c2ccccc2)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C22H26N2O2/c25-21-14-19-9-10-20(15-21)24(19)22(26)23-12-11-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-8,13,19-21,25H,9-12,14-15H2,(H,23,26)
InChIKeyUZTYJPWTKFTKFK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.59
Rot. Bonds4

About 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 127479475) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID127479475
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCCc1cccc(-c2ccccc2)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C22H26N2O2/c25-21-14-19-9-10-20(15-21)24(19)22(26)23-12-11-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-8,13,19-21,25H,9-12,14-15H2,(H,23,26)
InChIKeyUZTYJPWTKFTKFK-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 127479475) is 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCCc1cccc(-c2ccccc2)c1)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UZTYJPWTKFTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21-14-19-9-10-20(15-21)24(19)22(26)23-12-11-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-8,13,19-21,25H,9-12,14-15H2,(H,23,26).
What are the key properties of 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(3-phenylphenyl)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 127479475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).