4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide

C15H23F3N4O3 — CID 55636094

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
SMILESCC(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H23F3N4O3/c1-11(22-5-7-25-8-6-22)10-20-12(23)9-14(24,15(16,17)18)13-19-3-4-21(13)2/h3-4,11,24H,5-10H2,1-2H3,(H,20,23)
InChIKeyNFDIVTDAJLXOPF-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.40
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide (PubChem CID 55636094) has the molecular formula C15H23F3N4O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
PubChem CID55636094
Molecular FormulaC15H23F3N4O3
Molecular Weight364.37 g/mol
Exact Mass364.17
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
SMILESCC(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H23F3N4O3/c1-11(22-5-7-25-8-6-22)10-20-12(23)9-14(24,15(16,17)18)13-19-3-4-21(13)2/h3-4,11,24H,5-10H2,1-2H3,(H,20,23)
InChIKeyNFDIVTDAJLXOPF-UHFFFAOYSA-N
XLogP0.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 110901705
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide
CID 55527002
3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-N-(2-morpholin-4-ylpropyl)butanamide
CID 112820591
N-(4,4-dimethylpentyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111439436
N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 134042884
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
N-[2-(dimethylamino)-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 51334843
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 55924571
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 55515797
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111471518
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
CID 51930496

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide (CID 55636094) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide is CC(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The InChIKey is NFDIVTDAJLXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O3/c1-11(22-5-7-25-8-6-22)10-20-12(23)9-14(24,15(16,17)18)13-19-3-4-21(13)2/h3-4,11,24H,5-10H2,1-2H3,(H,20,23).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide has a molecular weight of 364.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 55636094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).