[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate

C18H19FN2O5 — CID 8666009

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H19FN2O5/c1-2-9-20-16(22)10-21-17(23)11-25-18(24)15-8-7-14(26-15)12-5-3-4-6-13(12)19/h3-8H,2,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBWRARKKFZPDTJC-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.88
Rot. Bonds8

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate (PubChem CID 8666009) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
PubChem CID8666009
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCCCNC(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H19FN2O5/c1-2-9-20-16(22)10-21-17(23)11-25-18(24)15-8-7-14(26-15)12-5-3-4-6-13(12)19/h3-8H,2,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBWRARKKFZPDTJC-UHFFFAOYSA-N
XLogP1.88
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8666053
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8665977
2-methylsulfanylethyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 78832390
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46609435
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46813002
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] anthracene-9-carboxylate
CID 9231199
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8978514
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 4-methylbenzoate
CID 9018198
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate (CID 8666009) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate is CCCNC(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The InChIKey is BWRARKKFZPDTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-2-9-20-16(22)10-21-17(23)11-25-18(24)15-8-7-14(26-15)12-5-3-4-6-13(12)19/h3-8H,2,9-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate has a molecular weight of 362.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 8666009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).