[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

C20H22FNO5 — CID 8666148

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2F)c(OC)c1
InChIInChI=1S/C20H22FNO5/c1-25-16-8-7-15(18(12-16)26-2)11-20(24)27-13-19(23)22-10-9-14-5-3-4-6-17(14)21/h3-8,12H,9-11,13H2,1-2H3,(H,22,23)
InChIKeyWJTZHXVLMSTANR-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.29
Rot. Bonds9

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 8666148) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID8666148
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2F)c(OC)c1
InChIInChI=1S/C20H22FNO5/c1-25-16-8-7-15(18(12-16)26-2)11-20(24)27-13-19(23)22-10-9-14-5-3-4-6-17(14)21/h3-8,12H,9-11,13H2,1-2H3,(H,22,23)
InChIKeyWJTZHXVLMSTANR-UHFFFAOYSA-N
XLogP2.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883595
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 6736700
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647671
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011066
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (CID 8666148) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCCc2ccccc2F)c(OC)c1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is WJTZHXVLMSTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-25-16-8-7-15(18(12-16)26-2)11-20(24)27-13-19(23)22-10-9-14-5-3-4-6-17(14)21/h3-8,12H,9-11,13H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 375.40 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 8666148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).