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

C8H15F3N2O3 — CID 106112903

IUPAC3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-15-6(4-12)7(14)13-2-3-16-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyXWZXDGMVIYLGHG-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.34
Rot. Bonds7

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

3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 106112903) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID106112903
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-15-6(4-12)7(14)13-2-3-16-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyXWZXDGMVIYLGHG-UHFFFAOYSA-N
XLogP-0.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 106112903) is 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is COC(CN)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is XWZXDGMVIYLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-15-6(4-12)7(14)13-2-3-16-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 244.21 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 106112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).