methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate

C20H26F3NO3 — CID 20761457

IUPACmethyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H26F3NO3/c1-12-9-13(2)16(14(3)10-12)11-17(25)24-19(18(26)27-4)7-5-15(6-8-19)20(21,22)23/h9-10,15H,5-8,11H2,1-4H3,(H,24,25)
InChIKeyPISVWWUOGGRPRA-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.93
Rot. Bonds4

About methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate

methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 20761457) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID20761457
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Namemethyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H26F3NO3/c1-12-9-13(2)16(14(3)10-12)11-17(25)24-19(18(26)27-4)7-5-15(6-8-19)20(21,22)23/h9-10,15H,5-8,11H2,1-4H3,(H,24,25)
InChIKeyPISVWWUOGGRPRA-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate 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 methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate (CID 20761457) is methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is PISVWWUOGGRPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO3/c1-12-9-13(2)16(14(3)10-12)11-17(25)24-19(18(26)27-4)7-5-15(6-8-19)20(21,22)23/h9-10,15H,5-8,11H2,1-4H3,(H,24,25).
What are the key properties of methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 385.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(trifluoromethyl)-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 20761457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).