N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide

C10H19F3N2O2 — CID 54961714

IUPACN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
SMILESCCNC(=O)C(C)NCCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-14-9(16)8(2)15-5-4-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyOUXQGAMTICZTHR-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds8

About N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide

N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide (PubChem CID 54961714) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
PubChem CID54961714
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
SMILESCCNC(=O)C(C)NCCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-14-9(16)8(2)15-5-4-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyOUXQGAMTICZTHR-UHFFFAOYSA-N
XLogP1.07
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 ≤ 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-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide (CID 54961714) is N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The canonical SMILES for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide is CCNC(=O)C(C)NCCCOCC(F)(F)F.
What is the InChIKey of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
The InChIKey is OUXQGAMTICZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-14-9(16)8(2)15-5-4-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide?
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide is sourced from PubChem (CID 54961714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).