2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide

C10H20F3N3O — CID 55142776

IUPAC2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCCN(CCC(NC)C(N)=O)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)6-4-8(15-2)9(14)17/h8,15H,3-7H2,1-2H3,(H2,14,17)
InChIKeyHIYLXQOSOTUEDQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.72
Rot. Bonds8

About 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide

2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 55142776) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID55142776
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCCN(CCC(NC)C(N)=O)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)6-4-8(15-2)9(14)17/h8,15H,3-7H2,1-2H3,(H2,14,17)
InChIKeyHIYLXQOSOTUEDQ-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide (CID 55142776) is 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide is CCCN(CCC(NC)C(N)=O)CC(F)(F)F.
What is the InChIKey of 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is HIYLXQOSOTUEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-3-5-16(7-10(11,12)13)6-4-8(15-2)9(14)17/h8,15H,3-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 255.28 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 55142776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).