2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide

C10H14F3N3O4 — CID 20687778

IUPAC2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
SMILESCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O4/c1-4(8(19)10(11,12)13)15-9(20)6(3-7(14)18)16-5(2)17/h4,6H,3H2,1-2H3,(H2,14,18)(H,15,20)(H,16,17)
InChIKeyRMECTDDZBITWFK-UHFFFAOYSA-N
MW297.23 g/mol
LogP-1.00
Rot. Bonds6

About 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide

2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide (PubChem CID 20687778) has the molecular formula C10H14F3N3O4 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide.

Molecular Properties

Compound Name2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
PubChem CID20687778
Molecular FormulaC10H14F3N3O4
Molecular Weight297.23 g/mol
Exact Mass297.09
IUPAC Name2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
SMILESCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O4/c1-4(8(19)10(11,12)13)15-9(20)6(3-7(14)18)16-5(2)17/h4,6H,3H2,1-2H3,(H2,14,18)(H,15,20)(H,16,17)
InChIKeyRMECTDDZBITWFK-UHFFFAOYSA-N
XLogP-1.00
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide?
The IUPAC name of 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide (CID 20687778) is 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide.
What is the SMILES notation for 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide?
The canonical SMILES for 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide is CC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F.
What is the InChIKey of 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide?
The InChIKey is RMECTDDZBITWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4/c1-4(8(19)10(11,12)13)15-9(20)6(3-7(14)18)16-5(2)17/h4,6H,3H2,1-2H3,(H2,14,18)(H,15,20)(H,16,17).
What are the key properties of 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide?
2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide has a molecular weight of 297.23 g/mol, XLogP of -1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide is sourced from PubChem (CID 20687778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).