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

C28H30F3NO2 — CID 42606112

IUPAC2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H30F3NO2/c1-19-13-15-21(16-14-19)17-25(22-9-6-5-7-10-22)20(2)32-26(33)27(3,4)34-24-12-8-11-23(18-24)28(29,30)31/h5-16,18,20,25H,17H2,1-4H3,(H,32,33)
InChIKeyXUIQFQAXOQLENM-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.70
Rot. Bonds8

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

2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 42606112) 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-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID42606112
Molecular FormulaC28H30F3NO2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C28H30F3NO2/c1-19-13-15-21(16-14-19)17-25(22-9-6-5-7-10-22)20(2)32-26(33)27(3,4)34-24-12-8-11-23(18-24)28(29,30)31/h5-16,18,20,25H,17H2,1-4H3,(H,32,33)
InChIKeyXUIQFQAXOQLENM-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-[2-(trifluoromethyl)phenoxy]propanamide
CID 91579744
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
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
N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120435
N-[3-[3-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25121132
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 23404717
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10216927
2-(3-chlorophenoxy)-N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methylpropanamide
CID 129391340
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119023
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(fluoromethoxy)phenyl]butan-2-yl]-2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11353054
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 42606112) is 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide is Cc1ccc(CC(c2ccccc2)C(C)NC(=O)C(C)(C)Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is XUIQFQAXOQLENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3NO2/c1-19-13-15-21(16-14-19)17-25(22-9-6-5-7-10-22)20(2)32-26(33)27(3,4)34-24-12-8-11-23(18-24)28(29,30)31/h5-16,18,20,25H,17H2,1-4H3,(H,32,33).
What are the key properties of 2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
2-methyl-N-[4-(4-methylphenyl)-3-phenylbutan-2-yl]-2-[3-(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-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 42606112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).