N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide

C20H22F3NO2 — CID 126588303

IUPACN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO2/c1-4-14-9-10-17(13(3)11-14)26-12-15-7-6-8-16(20(21,22)23)19(15)24-18(25)5-2/h6-11H,4-5,12H2,1-3H3,(H,24,25)
InChIKeySOKQNTOZEDAQBA-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.50
Rot. Bonds6

About N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide (PubChem CID 126588303) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide
PubChem CID126588303
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO2/c1-4-14-9-10-17(13(3)11-14)26-12-15-7-6-8-16(20(21,22)23)19(15)24-18(25)5-2/h6-11H,4-5,12H2,1-3H3,(H,24,25)
InChIKeySOKQNTOZEDAQBA-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide 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 N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide (CID 126588303) is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)(F)F.
What is the InChIKey of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SOKQNTOZEDAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-4-14-9-10-17(13(3)11-14)26-12-15-7-6-8-16(20(21,22)23)19(15)24-18(25)5-2/h6-11H,4-5,12H2,1-3H3,(H,24,25).
What are the key properties of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide?
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 126588303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).