2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C13H16F3NO3 — CID 86833595

IUPAC2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCOc1cccc(OCC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-17(7-6-13(14,15)16)12(18)9-20-11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCRLUJBOXDRFLIH-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.48
Rot. Bonds6

About 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 86833595) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID86833595
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCOc1cccc(OCC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-17(7-6-13(14,15)16)12(18)9-20-11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCRLUJBOXDRFLIH-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 86982268
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 86833595) is 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is COc1cccc(OCC(=O)N(C)CCC(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is CRLUJBOXDRFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-17(7-6-13(14,15)16)12(18)9-20-11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 86833595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).