2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide

C11H19F3N2O3 — CID 47031355

IUPAC2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)9(17)15-4-5-16-10(18)8(3)19-6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYKMMRPDQRJYHLZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.84
Rot. Bonds7

About 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide

2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide (PubChem CID 47031355) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
PubChem CID47031355
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)9(17)15-4-5-16-10(18)8(3)19-6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYKMMRPDQRJYHLZ-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide (CID 47031355) is 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide?
The InChIKey is YKMMRPDQRJYHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(2)9(17)15-4-5-16-10(18)8(3)19-6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide?
2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 47031355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).