2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

C21H23F3N2O3 — CID 108933715

IUPAC2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c1-13(2)16-6-10-18(11-7-16)29-14(3)19(27)26-17-8-4-15(5-9-17)12-25-20(28)21(22,23)24/h4-11,13-14H,12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyKCZNHNHPSALWFI-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.39
Rot. Bonds7

About 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (PubChem CID 108933715) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
PubChem CID108933715
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c1-13(2)16-6-10-18(11-7-16)29-14(3)19(27)26-17-8-4-15(5-9-17)12-25-20(28)21(22,23)24/h4-11,13-14H,12H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyKCZNHNHPSALWFI-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (CID 108933715) is 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is KCZNHNHPSALWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-13(2)16-6-10-18(11-7-16)29-14(3)19(27)26-17-8-4-15(5-9-17)12-25-20(28)21(22,23)24/h4-11,13-14H,12H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 408.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 108933715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).