(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide

C16H23F3N2O3 — CID 119751777

IUPAC(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O3/c1-10(2)7-14(20)15(23)21-8-12(22)9-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,10,12,14,22H,7-9,20H2,1-2H3,(H,21,23)/t12?,14-/m0/s1
InChIKeyYDXLFJTYINTJGO-PYMCNQPYSA-N
MW348.37 g/mol
LogP1.93
Rot. Bonds8

About (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide

(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide (PubChem CID 119751777) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
PubChem CID119751777
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O3/c1-10(2)7-14(20)15(23)21-8-12(22)9-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,10,12,14,22H,7-9,20H2,1-2H3,(H,21,23)/t12?,14-/m0/s1
InChIKeyYDXLFJTYINTJGO-PYMCNQPYSA-N
XLogP1.93
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
1-ethyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-(2-methylpropyl)guanidine
CID 111180751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide (CID 119751777) is (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide?
The InChIKey is YDXLFJTYINTJGO-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-10(2)7-14(20)15(23)21-8-12(22)9-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,10,12,14,22H,7-9,20H2,1-2H3,(H,21,23)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide has a molecular weight of 348.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide is sourced from PubChem (CID 119751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).