N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 113235208

IUPACN-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJVKIXHLYJJQFQO-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.93
Rot. Bonds8

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

N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113235208) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113235208
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJVKIXHLYJJQFQO-UHFFFAOYSA-N
XLogP0.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.93
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-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113235208) is N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)COCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JVKIXHLYJJQFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113235208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).