2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide

C11H20F3N3O3 — CID 81082899

IUPAC2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
SMILESCOCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-17(6-9(18)16-7-11(12,13)14)10(19)8(15)4-3-5-20-2/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyIYXSADRPXUIBOP-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.12
Rot. Bonds8

About 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide

2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide (PubChem CID 81082899) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
PubChem CID81082899
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
SMILESCOCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-17(6-9(18)16-7-11(12,13)14)10(19)8(15)4-3-5-20-2/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyIYXSADRPXUIBOP-UHFFFAOYSA-N
XLogP-0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide (CID 81082899) is 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide is COCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The InChIKey is IYXSADRPXUIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-17(6-9(18)16-7-11(12,13)14)10(19)8(15)4-3-5-20-2/h8H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide has a molecular weight of 299.29 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide is sourced from PubChem (CID 81082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).