[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate

C20H22FNO5 — CID 8647671

IUPAC[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)CCc1ccccc1F
InChIInChI=1S/C20H22FNO5/c1-25-17-8-4-5-9-18(17)26-13-12-22-19(23)14-27-20(24)11-10-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyZFLSGZWNUILJAK-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.51
Rot. Bonds10

About [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate (PubChem CID 8647671) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
PubChem CID8647671
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)CCc1ccccc1F
InChIInChI=1S/C20H22FNO5/c1-25-17-8-4-5-9-18(17)26-13-12-22-19(23)14-27-20(24)11-10-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyZFLSGZWNUILJAK-UHFFFAOYSA-N
XLogP2.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112993325
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387139
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate?
The IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate (CID 8647671) is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate?
The canonical SMILES for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate is COc1ccccc1OCCNC(=O)COC(=O)CCc1ccccc1F.
What is the InChIKey of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate?
The InChIKey is ZFLSGZWNUILJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-25-17-8-4-5-9-18(17)26-13-12-22-19(23)14-27-20(24)11-10-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate?
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate has a molecular weight of 375.40 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 8647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).