3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide

C14H22F3N3O2 — CID 47788932

IUPAC3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3N3O2/c1-12(2,3)9-10(21)18-6-5-13(22,14(15,16)17)11-19-7-8-20(11)4/h7-8,22H,5-6,9H2,1-4H3,(H,18,21)
InChIKeyUIVUWSHNZZOZKP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.11
Rot. Bonds5

About 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide

3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide (PubChem CID 47788932) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide
PubChem CID47788932
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3N3O2/c1-12(2,3)9-10(21)18-6-5-13(22,14(15,16)17)11-19-7-8-20(11)4/h7-8,22H,5-6,9H2,1-4H3,(H,18,21)
InChIKeyUIVUWSHNZZOZKP-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide (CID 47788932) is 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide is Cn1ccnc1C(O)(CCNC(=O)CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide?
The InChIKey is UIVUWSHNZZOZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-12(2,3)9-10(21)18-6-5-13(22,14(15,16)17)11-19-7-8-20(11)4/h7-8,22H,5-6,9H2,1-4H3,(H,18,21).
What are the key properties of 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide?
3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide has a molecular weight of 321.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]butanamide is sourced from PubChem (CID 47788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).