4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide

C13H20F3N3O2 — CID 134042880

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-4-9(5-2)18-10(20)8-12(21,13(14,15)16)11-17-6-7-19(11)3/h6-7,9,21H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRVDSAIYPIBTJEV-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.86
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide (PubChem CID 134042880) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
PubChem CID134042880
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-4-9(5-2)18-10(20)8-12(21,13(14,15)16)11-17-6-7-19(11)3/h6-7,9,21H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRVDSAIYPIBTJEV-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide (CID 134042880) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide is CCC(CC)NC(=O)CC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide?
The InChIKey is RVDSAIYPIBTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-4-9(5-2)18-10(20)8-12(21,13(14,15)16)11-17-6-7-19(11)3/h6-7,9,21H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide has a molecular weight of 307.32 g/mol, XLogP of 1.86, 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-pentan-3-ylbutanamide is sourced from PubChem (CID 134042880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).