N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C10H19F3N2O2 — CID 63828587

IUPACN-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(C)NC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15-9(16)8(3)14-4-5-17-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyLDWYQICLUZYFBH-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds7

About N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 63828587) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID63828587
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(C)NC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15-9(16)8(3)14-4-5-17-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyLDWYQICLUZYFBH-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.07
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-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 63828587) is N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CC(C)NC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is LDWYQICLUZYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)15-9(16)8(3)14-4-5-17-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 63828587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).