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

C9H17F3N2O2 — CID 103155675

IUPAC4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C9H17F3N2O2/c1-3-14(6-9(10,11)12)8(15)4-7(5-13)16-2/h7H,3-6,13H2,1-2H3
InChIKeyDEICQBQKSUOXRU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds6

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

4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155675) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155675
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C9H17F3N2O2/c1-3-14(6-9(10,11)12)8(15)4-7(5-13)16-2/h7H,3-6,13H2,1-2H3
InChIKeyDEICQBQKSUOXRU-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155675) is 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DEICQBQKSUOXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-14(6-9(10,11)12)8(15)4-7(5-13)16-2/h7H,3-6,13H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).