2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide

C25H25F3N2O3 — CID 69266314

IUPAC2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
SMILESCC(N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-10-12-22(13-11-21)33-15-14-17-2-4-18(5-3-17)19-6-8-20(9-7-19)25(26,27)28/h2-13,31H,14-16,29H2,1H3,(H,30,32)
InChIKeyODEUHCYYJDUOAE-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.64
Rot. Bonds8

About 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide

2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide (PubChem CID 69266314) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
PubChem CID69266314
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
SMILESCC(N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-10-12-22(13-11-21)33-15-14-17-2-4-18(5-3-17)19-6-8-20(9-7-19)25(26,27)28/h2-13,31H,14-16,29H2,1H3,(H,30,32)
InChIKeyODEUHCYYJDUOAE-UHFFFAOYSA-N
XLogP4.64
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
CID 91060090
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethoxy]anilino]propyl] dihydrogen phosphate
CID 11540052
(2S)-2-amino-N-[3-chloro-4-[2-(4-phenylphenyl)ethoxy]-5-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 25010719
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
tert-butyl N-[(2S)-1-[4-[2-[4-(4-ethylphenyl)phenyl]ethoxy]anilino]-3-hydroxy-2-methyl-1-oxopropan-2-yl]carbamate
CID 91256976
(2S)-2-amino-N-[2-bromo-4-[2-(4-phenylphenyl)ethoxy]-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 25010369
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide (CID 69266314) is 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide is CC(N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The InChIKey is ODEUHCYYJDUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-10-12-22(13-11-21)33-15-14-17-2-4-18(5-3-17)19-6-8-20(9-7-19)25(26,27)28/h2-13,31H,14-16,29H2,1H3,(H,30,32).
What are the key properties of 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide has a molecular weight of 458.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide is sourced from PubChem (CID 69266314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).