2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C14H21F3N2O3 — CID 164901817

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCOCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c1-13-3-5-18(6-4-13)10(11(13)20)9-19(7-8-22-2)12(21)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyOYPQGOPERYNUTK-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.08
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 164901817) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID164901817
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCOCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c1-13-3-5-18(6-4-13)10(11(13)20)9-19(7-8-22-2)12(21)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyOYPQGOPERYNUTK-UHFFFAOYSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 164901817) is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is COCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is OYPQGOPERYNUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-13-3-5-18(6-4-13)10(11(13)20)9-19(7-8-22-2)12(21)14(15,16)17/h10H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 164901817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).