4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide

C11H22F3N3O — CID 55145081

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC)CC(F)(F)F)C(N)=O
InChIInChI=1S/C11H22F3N3O/c1-3-6-16-9(10(15)18)5-7-17(4-2)8-11(12,13)14/h9,16H,3-8H2,1-2H3,(H2,15,18)
InChIKeyBVDWQKPTAOFZEN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.11
Rot. Bonds9

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide

4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide (PubChem CID 55145081) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide
PubChem CID55145081
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC)CC(F)(F)F)C(N)=O
InChIInChI=1S/C11H22F3N3O/c1-3-6-16-9(10(15)18)5-7-17(4-2)8-11(12,13)14/h9,16H,3-8H2,1-2H3,(H2,15,18)
InChIKeyBVDWQKPTAOFZEN-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide (CID 55145081) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide is CCCNC(CCN(CC)CC(F)(F)F)C(N)=O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide?
The InChIKey is BVDWQKPTAOFZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-3-6-16-9(10(15)18)5-7-17(4-2)8-11(12,13)14/h9,16H,3-8H2,1-2H3,(H2,15,18).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide has a molecular weight of 269.31 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanamide is sourced from PubChem (CID 55145081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).