N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

C24H38N2O2 — CID 108509136

IUPACN-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC(NC(=O)C(=O)N1CC2(C)CC1CC(C)(C)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H38N2O2/c1-15(24-8-16-5-17(9-24)7-18(6-16)10-24)25-20(27)21(28)26-14-23(4)12-19(26)11-22(2,3)13-23/h15-19H,5-14H2,1-4H3,(H,25,27)
InChIKeyXYRPGSHKSZRUBE-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.13
Rot. Bonds2

About N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (PubChem CID 108509136) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
PubChem CID108509136
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC(NC(=O)C(=O)N1CC2(C)CC1CC(C)(C)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H38N2O2/c1-15(24-8-16-5-17(9-24)7-18(6-16)10-24)25-20(27)21(28)26-14-23(4)12-19(26)11-22(2,3)13-23/h15-19H,5-14H2,1-4H3,(H,25,27)
InChIKeyXYRPGSHKSZRUBE-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108510143
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
2-oxo-N-(2-propan-2-ylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108500567
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
2-oxo-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108520035
1,3,3-trimethyl-N-propan-2-yl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 43834013
1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108520590
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
CID 102552576

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (CID 108509136) is N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is CC(NC(=O)C(=O)N1CC2(C)CC1CC(C)(C)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The InChIKey is XYRPGSHKSZRUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-15(24-8-16-5-17(9-24)7-18(6-16)10-24)25-20(27)21(28)26-14-23(4)12-19(26)11-22(2,3)13-23/h15-19H,5-14H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide has a molecular weight of 386.58 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is sourced from PubChem (CID 108509136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).