ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate

C18H26FNO5 — CID 118720116

IUPACethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F
InChIInChI=1S/C18H26FNO5/c1-5-20(6-2)17(21)12-25-16-11-14(19)13(9-15(16)23-7-3)10-18(22)24-8-4/h9,11H,5-8,10,12H2,1-4H3
InChIKeyJAEKBGSQUBGXRX-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.58
Rot. Bonds10

About ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate

ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate (PubChem CID 118720116) has the molecular formula C18H26FNO5 and a molecular weight of 355.41 g/mol. Its IUPAC name is ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate
PubChem CID118720116
Molecular FormulaC18H26FNO5
Molecular Weight355.41 g/mol
Exact Mass355.18
IUPAC Nameethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F
InChIInChI=1S/C18H26FNO5/c1-5-20(6-2)17(21)12-25-16-11-14(19)13(9-15(16)23-7-3)10-18(22)24-8-4/h9,11H,5-8,10,12H2,1-4H3
InChIKeyJAEKBGSQUBGXRX-UHFFFAOYSA-N
XLogP2.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate (CID 118720116) is ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate is CCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F.
What is the InChIKey of ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate?
The InChIKey is JAEKBGSQUBGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO5/c1-5-20(6-2)17(21)12-25-16-11-14(19)13(9-15(16)23-7-3)10-18(22)24-8-4/h9,11H,5-8,10,12H2,1-4H3.
What are the key properties of ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate?
ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate has a molecular weight of 355.41 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxy-2-fluorophenyl]acetate is sourced from PubChem (CID 118720116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).