[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate

C17H17FN2O5 — CID 8666053

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN2O5/c1-20(2)16(22)9-19-15(21)10-24-17(23)14-8-7-13(25-14)11-5-3-4-6-12(11)18/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyKUSAXXKIOXZUPQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.45
Rot. Bonds6

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate (PubChem CID 8666053) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
PubChem CID8666053
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN2O5/c1-20(2)16(22)9-19-15(21)10-24-17(23)14-8-7-13(25-14)11-5-3-4-6-12(11)18/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyKUSAXXKIOXZUPQ-UHFFFAOYSA-N
XLogP1.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8666009
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8665977
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46609435
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
2-methylsulfanylethyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 78832390
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46812912
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647741
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46813002
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8978514
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 46658754
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203065
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate (CID 8666053) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate is CN(C)C(=O)CNC(=O)COC(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The InChIKey is KUSAXXKIOXZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-20(2)16(22)9-19-15(21)10-24-17(23)14-8-7-13(25-14)11-5-3-4-6-12(11)18/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 8666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).