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

C13H18F3N3O2 — CID 134042884

IUPACN-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-8(9-3-4-9)18-10(20)7-12(21,13(14,15)16)11-17-5-6-19(11)2/h5-6,8-9,21H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyKEFHDNHRDFBLEA-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.47
Rot. Bonds5

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

N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 134042884) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID134042884
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-8(9-3-4-9)18-10(20)7-12(21,13(14,15)16)11-17-5-6-19(11)2/h5-6,8-9,21H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyKEFHDNHRDFBLEA-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 134042884) is N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is CC(NC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is KEFHDNHRDFBLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(9-3-4-9)18-10(20)7-12(21,13(14,15)16)11-17-5-6-19(11)2/h5-6,8-9,21H,3-4,7H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 305.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 134042884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).