4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide

C12H17F3N2O2 — CID 162559559

IUPAC4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESC=CNC(CC1CCC1)C(=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-16-9(6-8-4-3-5-8)10(18)11(19)17-7-12(13,14)15/h2,8-9,16H,1,3-7H2,(H,17,19)
InChIKeyWVTWIBBHFBCGNV-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.53
Rot. Bonds7

About 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide

4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 162559559) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID162559559
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESC=CNC(CC1CCC1)C(=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-16-9(6-8-4-3-5-8)10(18)11(19)17-7-12(13,14)15/h2,8-9,16H,1,3-7H2,(H,17,19)
InChIKeyWVTWIBBHFBCGNV-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 162559559) is 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide is C=CNC(CC1CCC1)C(=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WVTWIBBHFBCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-16-9(6-8-4-3-5-8)10(18)11(19)17-7-12(13,14)15/h2,8-9,16H,1,3-7H2,(H,17,19).
What are the key properties of 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide?
4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 278.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-(ethenylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 162559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).