2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide

C28H30F3NO2 — CID 91579744

IUPAC2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C28H30F3NO2/c1-19-14-16-21(17-15-19)18-23(22-10-6-5-7-11-22)20(2)32-26(33)27(3,4)34-25-13-9-8-12-24(25)28(29,30)31/h5-17,20,23H,18H2,1-4H3,(H,32,33)
InChIKeyQFQXHFKIECGQNJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.70
Rot. Bonds8

About 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide

2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 91579744) has the molecular formula C28H30F3NO2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID91579744
Molecular FormulaC28H30F3NO2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C28H30F3NO2/c1-19-14-16-21(17-15-19)18-23(22-10-6-5-7-11-22)20(2)32-26(33)27(3,4)34-25-13-9-8-12-24(25)28(29,30)31/h5-17,20,23H,18H2,1-4H3,(H,32,33)
InChIKeyQFQXHFKIECGQNJ-UHFFFAOYSA-N
XLogP6.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 42606112
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10216927
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 23404717
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 142807524
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-(4-methylphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119026
2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide
CID 142807561
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
[1-[[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl] 4-fluoro-2-(trifluoromethyl)benzoate
CID 67606862
2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide
CID 142901467
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 91579744) is 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide is Cc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is QFQXHFKIECGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3NO2/c1-19-14-16-21(17-15-19)18-23(22-10-6-5-7-11-22)20(2)32-26(33)27(3,4)34-25-13-9-8-12-24(25)28(29,30)31/h5-17,20,23H,18H2,1-4H3,(H,32,33).
What are the key properties of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 469.55 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 91579744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).