N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C16H24F3N3O2 — CID 102554798

IUPACN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F3N3O2/c1-21(9-16(17,18)19)14(23)7-20-15(24)22-8-12-3-10-2-11(4-12)6-13(22)5-10/h10-13H,2-9H2,1H3,(H,20,24)
InChIKeyOGLAJYVYBSWDIE-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.23
Rot. Bonds3

About N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 102554798) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID102554798
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F3N3O2/c1-21(9-16(17,18)19)14(23)7-20-15(24)22-8-12-3-10-2-11(4-12)6-13(22)5-10/h10-13H,2-9H2,1H3,(H,20,24)
InChIKeyOGLAJYVYBSWDIE-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 102554798) is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is CN(CC(F)(F)F)C(=O)CNC(=O)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is OGLAJYVYBSWDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-21(9-16(17,18)19)14(23)7-20-15(24)22-8-12-3-10-2-11(4-12)6-13(22)5-10/h10-13H,2-9H2,1H3,(H,20,24).
What are the key properties of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 102554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).