N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C17H25F3N2O2 — CID 60559019

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c1-12(2)9-14(10-22(3)4)21-16(23)11-24-15-7-5-13(6-8-15)17(18,19)20/h5-8,12,14H,9-11H2,1-4H3,(H,21,23)
InChIKeyQKTOSHGOHDFPFD-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds8

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 60559019) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID60559019
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c1-12(2)9-14(10-22(3)4)21-16(23)11-24-15-7-5-13(6-8-15)17(18,19)20/h5-8,12,14H,9-11H2,1-4H3,(H,21,23)
InChIKeyQKTOSHGOHDFPFD-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
(2R)-3-methyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoic acid
CID 119368130
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
2-[4-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945610
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 60559019) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(C)CC(CN(C)C)NC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QKTOSHGOHDFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-12(2)9-14(10-22(3)4)21-16(23)11-24-15-7-5-13(6-8-15)17(18,19)20/h5-8,12,14H,9-11H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 60559019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).