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

C13H16F3NO3 — CID 84603980

IUPACN-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(7-19-2)17-12(18)8-20-11-5-3-10(4-6-11)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKBQOQDZEQXPSHV-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.24
Rot. Bonds6

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

N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 84603980) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID84603980
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(7-19-2)17-12(18)8-20-11-5-3-10(4-6-11)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKBQOQDZEQXPSHV-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
(2R)-3-methyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoic acid
CID 119368130
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
1-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111073084
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 60559019
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 84603980) is N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is COCC(C)NC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is KBQOQDZEQXPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-9(7-19-2)17-12(18)8-20-11-5-3-10(4-6-11)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 84603980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).