2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 54961947

IUPAC2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCOCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyYEIHQCARYSENAV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds9

About 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961947) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961947
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCOCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyYEIHQCARYSENAV-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.07
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-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54961947) is 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCCCOCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YEIHQCARYSENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-3-5-17-6-4-14-7-9(16)15-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).