N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide

C18H28N2O — CID 81099772

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c21-18(20-16-8-14-1-2-15(9-16)19-14)17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,19H,1-9H2,(H,20,21)
InChIKeySTNGIUOFBQNDOI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.46
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide (PubChem CID 81099772) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide
PubChem CID81099772
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O/c21-18(20-16-8-14-1-2-15(9-16)19-14)17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,19H,1-9H2,(H,20,21)
InChIKeySTNGIUOFBQNDOI-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide (CID 81099772) is N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide is O=C(NC1CC2CCC(C1)N2)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide?
The InChIKey is STNGIUOFBQNDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18(20-16-8-14-1-2-15(9-16)19-14)17-12-4-10-3-11(6-12)7-13(17)5-10/h10-17,19H,1-9H2,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81099772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).