N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide

C10H19F3N2O2 — CID 60975241

IUPACN-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCCCNC(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-4-15-9(16)7-14-5-3-6-17-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyDUBUCMLVXWSKGR-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds9

About N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide

N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (PubChem CID 60975241) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
PubChem CID60975241
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
SMILESCCCNC(=O)CNCCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-4-15-9(16)7-14-5-3-6-17-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyDUBUCMLVXWSKGR-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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'}

Analyze N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The IUPAC name of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide (CID 60975241) is N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide.
What is the SMILES notation for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The canonical SMILES for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is CCCNC(=O)CNCCCOCC(F)(F)F.
What is the InChIKey of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
The InChIKey is DUBUCMLVXWSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-4-15-9(16)7-14-5-3-6-17-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide?
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide is sourced from PubChem (CID 60975241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).