3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide

C34H40F6N2O4 — CID 70675338

IUPAC3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1
InChIInChI=1S/C34H40F6N2O4/c1-19-28(21-13-23(33(35,36)37)15-24(14-21)34(38,39)40)46-30(44)42(19)18-22-17-31(2,3)11-10-25(22)26-12-20(8-9-27(26)45-7)16-32(4,5)29(43)41-6/h8-9,12-15,19,28H,10-11,16-18H2,1-7H3,(H,41,43)/t19-,28-/m0/s1
InChIKeyJOZIWHFQSQRHEV-VKGTZQKMSA-N
MW654.69 g/mol
LogP8.59
Rot. Bonds8

About 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide

3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide (PubChem CID 70675338) has the molecular formula C34H40F6N2O4 and a molecular weight of 654.69 g/mol. Its IUPAC name is 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide
PubChem CID70675338
Molecular FormulaC34H40F6N2O4
Molecular Weight654.69 g/mol
Exact Mass654.29
IUPAC Name3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1
InChIInChI=1S/C34H40F6N2O4/c1-19-28(21-13-23(33(35,36)37)15-24(14-21)34(38,39)40)46-30(44)42(19)18-22-17-31(2,3)11-10-25(22)26-12-20(8-9-27(26)45-7)16-32(4,5)29(43)41-6/h8-9,12-15,19,28H,10-11,16-18H2,1-7H3,(H,41,43)/t19-,28-/m0/s1
InChIKeyJOZIWHFQSQRHEV-VKGTZQKMSA-N
XLogP8.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.69
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide 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 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide (CID 70675338) is 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1.
What is the InChIKey of 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide?
The InChIKey is JOZIWHFQSQRHEV-VKGTZQKMSA-N. The full InChI is InChI=1S/C34H40F6N2O4/c1-19-28(21-13-23(33(35,36)37)15-24(14-21)34(38,39)40)46-30(44)42(19)18-22-17-31(2,3)11-10-25(22)26-12-20(8-9-27(26)45-7)16-32(4,5)29(43)41-6/h8-9,12-15,19,28H,10-11,16-18H2,1-7H3,(H,41,43)/t19-,28-/m0/s1.
What are the key properties of 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide?
3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide has a molecular weight of 654.69 g/mol, XLogP of 8.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 70675338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).