[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate

C23H29F3N2O4 — CID 59562752

IUPAC[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
SMILESCc1cc(C)c(C2=C(OC(=O)N(C)C)C3(CCC(OCC(F)(F)F)CC3)NC2=O)c(C)c1
InChIInChI=1S/C23H29F3N2O4/c1-13-10-14(2)17(15(3)11-13)18-19(32-21(30)28(4)5)22(27-20(18)29)8-6-16(7-9-22)31-12-23(24,25)26/h10-11,16H,6-9,12H2,1-5H3,(H,27,29)
InChIKeyUOMNSNMLABEGLK-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.41
Rot. Bonds4

About [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate

[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate (PubChem CID 59562752) has the molecular formula C23H29F3N2O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
PubChem CID59562752
Molecular FormulaC23H29F3N2O4
Molecular Weight454.49 g/mol
Exact Mass454.21
IUPAC Name[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
SMILESCc1cc(C)c(C2=C(OC(=O)N(C)C)C3(CCC(OCC(F)(F)F)CC3)NC2=O)c(C)c1
InChIInChI=1S/C23H29F3N2O4/c1-13-10-14(2)17(15(3)11-13)18-19(32-21(30)28(4)5)22(27-20(18)29)8-6-16(7-9-22)31-12-23(24,25)26/h10-11,16H,6-9,12H2,1-5H3,(H,27,29)
InChIKeyUOMNSNMLABEGLK-UHFFFAOYSA-N
XLogP4.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate (CID 59562752) is [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate is Cc1cc(C)c(C2=C(OC(=O)N(C)C)C3(CCC(OCC(F)(F)F)CC3)NC2=O)c(C)c1.
What is the InChIKey of [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The InChIKey is UOMNSNMLABEGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O4/c1-13-10-14(2)17(15(3)11-13)18-19(32-21(30)28(4)5)22(27-20(18)29)8-6-16(7-9-22)31-12-23(24,25)26/h10-11,16H,6-9,12H2,1-5H3,(H,27,29).
What are the key properties of [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
[2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate has a molecular weight of 454.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 59562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).