2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide

C11H22F3N3O — CID 55144695

IUPAC2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCNC(CCN(CC(F)(F)F)C(C)C)C(N)=O
InChIInChI=1S/C11H22F3N3O/c1-4-16-9(10(15)18)5-6-17(8(2)3)7-11(12,13)14/h8-9,16H,4-7H2,1-3H3,(H2,15,18)
InChIKeyGHOAKPUKVWVEFJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.11
Rot. Bonds8

About 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide

2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 55144695) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID55144695
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCNC(CCN(CC(F)(F)F)C(C)C)C(N)=O
InChIInChI=1S/C11H22F3N3O/c1-4-16-9(10(15)18)5-6-17(8(2)3)7-11(12,13)14/h8-9,16H,4-7H2,1-3H3,(H2,15,18)
InChIKeyGHOAKPUKVWVEFJ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide (CID 55144695) is 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide is CCNC(CCN(CC(F)(F)F)C(C)C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is GHOAKPUKVWVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-4-16-9(10(15)18)5-6-17(8(2)3)7-11(12,13)14/h8-9,16H,4-7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide?
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 269.31 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 55144695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).