4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O2 — CID 114227403

IUPAC4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOC(CN)CC(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-15(7-10(11,12)13)9(16)5-8(6-14)17-4-2/h8H,3-7,14H2,1-2H3
InChIKeyGCQZKLQEVUKCMP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds7

About 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide

4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114227403) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114227403
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOC(CN)CC(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-15(7-10(11,12)13)9(16)5-8(6-14)17-4-2/h8H,3-7,14H2,1-2H3
InChIKeyGCQZKLQEVUKCMP-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114227403) is 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide is CCOC(CN)CC(=O)N(CC)CC(F)(F)F.
What is the InChIKey of 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is GCQZKLQEVUKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-15(7-10(11,12)13)9(16)5-8(6-14)17-4-2/h8H,3-7,14H2,1-2H3.
What are the key properties of 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114227403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).