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

C15H23F3N4O2 — CID 110901705

IUPACN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCN(C)C(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1
InChIInChI=1S/C15H23F3N4O2/c1-21(2)11(10-4-5-10)9-20-12(23)8-14(24,15(16,17)18)13-19-6-7-22(13)3/h6-7,10-11,24H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyTUCBVCCPLOQLIS-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.02
Rot. Bonds7

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

N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 110901705) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID110901705
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC NameN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCN(C)C(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1
InChIInChI=1S/C15H23F3N4O2/c1-21(2)11(10-4-5-10)9-20-12(23)8-14(24,15(16,17)18)13-19-6-7-22(13)3/h6-7,10-11,24H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyTUCBVCCPLOQLIS-UHFFFAOYSA-N
XLogP1.02
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 110901705) is N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is CN(C)C(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is TUCBVCCPLOQLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-21(2)11(10-4-5-10)9-20-12(23)8-14(24,15(16,17)18)13-19-6-7-22(13)3/h6-7,10-11,24H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 348.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 110901705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).