2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane

C16H32F3N3O3 — CID 144985748

IUPAC2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane
SMILESCCC.CCCN(CC(=O)NC(C(C)C)C(O)C(F)(F)F)C(=O)CN
InChIInChI=1S/C13H24F3N3O3.C3H8/c1-4-5-19(10(21)6-17)7-9(20)18-11(8(2)3)12(22)13(14,15)16;1-3-2/h8,11-12,22H,4-7,17H2,1-3H3,(H,18,20);3H2,1-2H3
InChIKeyITIXBLPCJUBIHL-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.66
Rot. Bonds8

About 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane

2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane (PubChem CID 144985748) has the molecular formula C16H32F3N3O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane
PubChem CID144985748
Molecular FormulaC16H32F3N3O3
Molecular Weight371.44 g/mol
Exact Mass371.24
IUPAC Name2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane
SMILESCCC.CCCN(CC(=O)NC(C(C)C)C(O)C(F)(F)F)C(=O)CN
InChIInChI=1S/C13H24F3N3O3.C3H8/c1-4-5-19(10(21)6-17)7-9(20)18-11(8(2)3)12(22)13(14,15)16;1-3-2/h8,11-12,22H,4-7,17H2,1-3H3,(H,18,20);3H2,1-2H3
InChIKeyITIXBLPCJUBIHL-UHFFFAOYSA-N
XLogP1.66
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane?
The IUPAC name of 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane (CID 144985748) is 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane?
The canonical SMILES for 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane is CCC.CCCN(CC(=O)NC(C(C)C)C(O)C(F)(F)F)C(=O)CN.
What is the InChIKey of 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane?
The InChIKey is ITIXBLPCJUBIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O3.C3H8/c1-4-5-19(10(21)6-17)7-9(20)18-11(8(2)3)12(22)13(14,15)16;1-3-2/h8,11-12,22H,4-7,17H2,1-3H3,(H,18,20);3H2,1-2H3.
What are the key properties of 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane?
2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane has a molecular weight of 371.44 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane is sourced from PubChem (CID 144985748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).