N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H21F3N2O2 — CID 78924216

IUPACN-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2)7-18-5-3-4-16-10(17)6-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyFGXCEUZUJSMKPS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.32
Rot. Bonds9

About N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924216) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924216
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2)7-18-5-3-4-16-10(17)6-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyFGXCEUZUJSMKPS-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924216) is N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)COCCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FGXCEUZUJSMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-9(2)7-18-5-3-4-16-10(17)6-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).