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

C14H19F3N2O2 — CID 164901800

IUPACN-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCC12CCN(CC1)C(CN(C(=O)C(F)(F)F)C1CC1)C2=O
InChIInChI=1S/C14H19F3N2O2/c1-13-4-6-18(7-5-13)10(11(13)20)8-19(9-2-3-9)12(21)14(15,16)17/h9-10H,2-8H2,1H3
InChIKeyDOQGURGCZZGWAU-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.59
Rot. Bonds3

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

N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 164901800) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID164901800
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCC12CCN(CC1)C(CN(C(=O)C(F)(F)F)C1CC1)C2=O
InChIInChI=1S/C14H19F3N2O2/c1-13-4-6-18(7-5-13)10(11(13)20)8-19(9-2-3-9)12(21)14(15,16)17/h9-10H,2-8H2,1H3
InChIKeyDOQGURGCZZGWAU-UHFFFAOYSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 164901800) is N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is CC12CCN(CC1)C(CN(C(=O)C(F)(F)F)C1CC1)C2=O.
What is the InChIKey of N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is DOQGURGCZZGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13-4-6-18(7-5-13)10(11(13)20)8-19(9-2-3-9)12(21)14(15,16)17/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 164901800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).