N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide

C33H41F3N2O4 — CID 123633521

IUPACN-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C)cc1C1=C(CN2C(=O)OC(c3cc(C)cc(C(F)(F)F)c3)C2C)CC(C)(C)CC1
InChIInChI=1S/C33H41F3N2O4/c1-19(2)30(39)37(7)25-9-10-28(41-8)27(16-25)26-11-12-32(5,6)17-23(26)18-38-21(4)29(42-31(38)40)22-13-20(3)14-24(15-22)33(34,35)36/h9-10,13-16,19,21,29H,11-12,17-18H2,1-8H3
InChIKeyZJAWWNRZKSYCPJ-UHFFFAOYSA-N
MW586.70 g/mol
LogP8.19
Rot. Bonds7

About N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide

N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide (PubChem CID 123633521) has the molecular formula C33H41F3N2O4 and a molecular weight of 586.70 g/mol. Its IUPAC name is N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide
PubChem CID123633521
Molecular FormulaC33H41F3N2O4
Molecular Weight586.70 g/mol
Exact Mass586.30
IUPAC NameN-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C)cc1C1=C(CN2C(=O)OC(c3cc(C)cc(C(F)(F)F)c3)C2C)CC(C)(C)CC1
InChIInChI=1S/C33H41F3N2O4/c1-19(2)30(39)37(7)25-9-10-28(41-8)27(16-25)26-11-12-32(5,6)17-23(26)18-38-21(4)29(42-31(38)40)22-13-20(3)14-24(15-22)33(34,35)36/h9-10,13-16,19,21,29H,11-12,17-18H2,1-8H3
InChIKeyZJAWWNRZKSYCPJ-UHFFFAOYSA-N
XLogP8.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide (CID 123633521) is N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)C)cc1C1=C(CN2C(=O)OC(c3cc(C)cc(C(F)(F)F)c3)C2C)CC(C)(C)CC1.
What is the InChIKey of N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide?
The InChIKey is ZJAWWNRZKSYCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N2O4/c1-19(2)30(39)37(7)25-9-10-28(41-8)27(16-25)26-11-12-32(5,6)17-23(26)18-38-21(4)29(42-31(38)40)22-13-20(3)14-24(15-22)33(34,35)36/h9-10,13-16,19,21,29H,11-12,17-18H2,1-8H3.
What are the key properties of N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide?
N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide has a molecular weight of 586.70 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,4-dimethyl-2-[[4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 123633521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).