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

C18H28N2O2 — CID 127308548

IUPACN-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H28N2O2/c21-16-8-14-1-2-15(9-16)20(14)18(22)19-17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,21H,1-9H2,(H,19,22)
InChIKeyVGBLNXJATSONOD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.51
Rot. Bonds1

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

N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 127308548) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID127308548
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H28N2O2/c21-16-8-14-1-2-15(9-16)20(14)18(22)19-17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,21H,1-9H2,(H,19,22)
InChIKeyVGBLNXJATSONOD-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 127308548) is N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1C2CCC1CC(O)C2.
What is the InChIKey of N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is VGBLNXJATSONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-16-8-14-1-2-15(9-16)20(14)18(22)19-17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,21H,1-9H2,(H,19,22).
What are the key properties of N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 127308548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).