2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 78962170

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(=O)NCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)5-8(16)14-6-10(11,12)13/h17H,4-7H2,1-3H3,(H,14,16)
InChIKeyIMTGCVBEQCKHDN-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78962170) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78962170
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(=O)NCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)5-8(16)14-6-10(11,12)13/h17H,4-7H2,1-3H3,(H,14,16)
InChIKeyIMTGCVBEQCKHDN-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 54871583
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54874849
2-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propylamino]acetic acid
CID 54898963
N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide
CID 55007028
2-(ethylamino)-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55121486
2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60689235
2-[2-hydroxyethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60691864
2-[Butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
CID 60833131
2-amino-N-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]acetamide
CID 60944877
N-(2-hydroxyethyl)-2-[propyl(2,2,2-trifluoroethyl)amino]acetamide
CID 61608096
N-(2-hydroxyethyl)-2-(propylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61809848
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(propylamino)acetamide
CID 61810662

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78962170) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(=O)NCC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IMTGCVBEQCKHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)5-8(16)14-6-10(11,12)13/h17H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).