4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide

C18H22F3N3O3 — CID 55953751

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C18H22F3N3O3/c1-4-9-27-13-5-6-14(12(2)10-13)23-15(25)11-17(26,18(19,20)21)16-22-7-8-24(16)3/h5-8,10,26H,4,9,11H2,1-3H3,(H,23,25)
InChIKeyWFNOPZYXRJPLAA-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.30
Rot. Bonds7

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide (PubChem CID 55953751) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide
PubChem CID55953751
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C18H22F3N3O3/c1-4-9-27-13-5-6-14(12(2)10-13)23-15(25)11-17(26,18(19,20)21)16-22-7-8-24(16)3/h5-8,10,26H,4,9,11H2,1-3H3,(H,23,25)
InChIKeyWFNOPZYXRJPLAA-UHFFFAOYSA-N
XLogP3.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 25350659
4,4,4-trifluoro-N-(4-fluoro-2-methoxyphenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55588733
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55955504
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55975651
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111471518
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 55924571
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide (CID 55953751) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide is CCCOc1ccc(NC(=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-methyl-4-propoxyphenyl)butanamide?
The InChIKey is WFNOPZYXRJPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-4-9-27-13-5-6-14(12(2)10-13)23-15(25)11-17(26,18(19,20)21)16-22-7-8-24(16)3/h5-8,10,26H,4,9,11H2,1-3H3,(H,23,25).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-propoxyphenyl)butanamide has a molecular weight of 385.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-methyl-4-propoxyphenyl)butanamide is sourced from PubChem (CID 55953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).