2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H25F3N2O3 — CID 78827764

IUPAC2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)COC(C)C
InChIInChI=1S/C17H25F3N2O3/c1-4-22(9-13(23)11-25-12(2)3)10-16(24)21-15-8-6-5-7-14(15)17(18,19)20/h5-8,12-13,23H,4,9-11H2,1-3H3,(H,21,24)
InChIKeyTXCISKPNOAIWLG-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.75
Rot. Bonds9

About 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 78827764) has the molecular formula C17H25F3N2O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID78827764
Molecular FormulaC17H25F3N2O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC Name2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)COC(C)C
InChIInChI=1S/C17H25F3N2O3/c1-4-22(9-13(23)11-25-12(2)3)10-16(24)21-15-8-6-5-7-14(15)17(18,19)20/h5-8,12-13,23H,4,9-11H2,1-3H3,(H,21,24)
InChIKeyTXCISKPNOAIWLG-UHFFFAOYSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
CID 119934823
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 78827764) is 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)COC(C)C.
What is the InChIKey of 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TXCISKPNOAIWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3/c1-4-22(9-13(23)11-25-12(2)3)10-16(24)21-15-8-6-5-7-14(15)17(18,19)20/h5-8,12-13,23H,4,9-11H2,1-3H3,(H,21,24).
What are the key properties of 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78827764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).