2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 60977188

IUPAC2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-5-3-2-4-13-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyVNOAYCQYCIJGLJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds8

About 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60977188) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60977188
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-5-3-2-4-13-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyVNOAYCQYCIJGLJ-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60977188) is 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide is COCCCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VNOAYCQYCIJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-16-5-3-2-4-13-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60977188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).