3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide

C11H21F3N2O2 — CID 54871774

IUPAC3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC(C)N
InChIInChI=1S/C11H21F3N2O2/c1-3-18-6-4-5-16(8-11(12,13)14)10(17)7-9(2)15/h9H,3-8,15H2,1-2H3
InChIKeyCJQACDJSMGKSOH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds8

About 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54871774) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54871774
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC(C)N
InChIInChI=1S/C11H21F3N2O2/c1-3-18-6-4-5-16(8-11(12,13)14)10(17)7-9(2)15/h9H,3-8,15H2,1-2H3
InChIKeyCJQACDJSMGKSOH-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide 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 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 54871774) is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CJQACDJSMGKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-18-6-4-5-16(8-11(12,13)14)10(17)7-9(2)15/h9H,3-8,15H2,1-2H3.
What are the key properties of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 270.29 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54871774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).