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

C13H16F3NO3 — CID 84603980

IUPACN-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(COC)NC(=O)COC1=CC=C(C=C1)C(F)(F)F
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
LogP2.40
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
SMILESCC(COC)NC(=O)COC1=CC=C(C=C1)C(F)(F)F
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
XLogP2.40
TPSA47.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity302

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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 CC(COC)NC(=O)COC1=CC=C(C=C1)C(F)(F)F.
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 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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).