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

C11H21F3N2O2 — CID 54871760

IUPAC2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CC
InChIInChI=1S/C11H21F3N2O2/c1-3-9(15)10(17)16(8-11(12,13)14)6-5-7-18-4-2/h9H,3-8,15H2,1-2H3
InChIKeyZAQDDJAEPDUQFW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds8

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

2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54871760) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54871760
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CC
InChIInChI=1S/C11H21F3N2O2/c1-3-9(15)10(17)16(8-11(12,13)14)6-5-7-18-4-2/h9H,3-8,15H2,1-2H3
InChIKeyZAQDDJAEPDUQFW-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 54871760) is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)C(N)CC.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZAQDDJAEPDUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-9(15)10(17)16(8-11(12,13)14)6-5-7-18-4-2/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide?
2-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 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54871760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).