4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide

C19H24F3N3O2 — CID 55924571

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
SMILESCc1cc(C)c(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H24F3N3O2/c1-12-9-13(2)15(14(3)10-12)5-6-23-16(26)11-18(27,19(20,21)22)17-24-7-8-25(17)4/h7-10,27H,5-6,11H2,1-4H3,(H,23,26)
InChIKeyVBUXJHJWHAQFAR-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.84
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide (PubChem CID 55924571) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
PubChem CID55924571
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
SMILESCc1cc(C)c(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H24F3N3O2/c1-12-9-13(2)15(14(3)10-12)5-6-23-16(26)11-18(27,19(20,21)22)17-24-7-8-25(17)4/h7-10,27H,5-6,11H2,1-4H3,(H,23,26)
InChIKeyVBUXJHJWHAQFAR-UHFFFAOYSA-N
XLogP2.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-dimethylpentyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111439436
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 47020205
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pyridin-2-ylbutanamide
CID 94798928
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
CID 55636094
tert-butyl N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]carbamate
CID 97072003
N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 134042884
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
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-methyl-4-propoxyphenyl)butanamide
CID 55953751
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 55515797

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide (CID 55924571) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide is Cc1cc(C)c(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)c(C)c1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The InChIKey is VBUXJHJWHAQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-12-9-13(2)15(14(3)10-12)5-6-23-16(26)11-18(27,19(20,21)22)17-24-7-8-25(17)4/h7-10,27H,5-6,11H2,1-4H3,(H,23,26).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide has a molecular weight of 383.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2,4,6-trimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 55924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).