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

C25H25F3N2O3 — CID 11518212

IUPAC(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-9-11-22(12-10-21)33-14-13-17-5-7-18(8-6-17)19-3-2-4-20(15-19)25(26,27)28/h2-12,15,31H,13-14,16,29H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyYHLBRCANJLXYFQ-DEOSSOPVSA-N
MW458.48 g/mol
LogP4.64
Rot. Bonds8

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

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide (PubChem CID 11518212) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
PubChem CID11518212
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-9-11-22(12-10-21)33-14-13-17-5-7-18(8-6-17)19-3-2-4-20(15-19)25(26,27)28/h2-12,15,31H,13-14,16,29H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyYHLBRCANJLXYFQ-DEOSSOPVSA-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

2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
CID 91060090
(2S)-2-amino-N-[2-bromo-4-[2-(4-phenylphenyl)ethoxy]-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 25010369
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
(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
ethyl 5-[4-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]phenoxy]pentanoate
CID 57201477
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide (CID 11518212) is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide is C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
The InChIKey is YHLBRCANJLXYFQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-24(29,16-31)23(32)30-21-9-11-22(12-10-21)33-14-13-17-5-7-18(8-6-17)19-3-2-4-20(15-19)25(26,27)28/h2-12,15,31H,13-14,16,29H2,1H3,(H,30,32)/t24-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide?
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(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 (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide is sourced from PubChem (CID 11518212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).