N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C15H20F3NO3 — CID 111596763

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-4-19(10-14(2,3)21)13(20)9-11-5-7-12(8-6-11)22-15(16,17)18/h5-8,21H,4,9-10H2,1-3H3
InChIKeyYIJIPTRTYCLZNH-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 111596763) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID111596763
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-4-19(10-14(2,3)21)13(20)9-11-5-7-12(8-6-11)22-15(16,17)18/h5-8,21H,4,9-10H2,1-3H3
InChIKeyYIJIPTRTYCLZNH-UHFFFAOYSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596351
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531117
3-ethyl-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 103446982
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 119585098
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 111596763) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CCN(CC(C)(C)O)C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YIJIPTRTYCLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-4-19(10-14(2,3)21)13(20)9-11-5-7-12(8-6-11)22-15(16,17)18/h5-8,21H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 319.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 111596763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).