2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 54874849

IUPAC2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-8(2)14-6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyXYBKBRNUNSSNGF-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54874849) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54874849
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-8(2)14-6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyXYBKBRNUNSSNGF-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 54874849) is 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is CCC(C)NCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XYBKBRNUNSSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-8(2)14-6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54874849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).