[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate

C17H19NO4 — CID 2435261

IUPAC[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19NO4/c1-3-18(4-2)14-9-7-13(8-10-14)17(20)22-12-15(19)16-6-5-11-21-16/h5-11H,3-4,12H2,1-2H3
InChIKeyUYNPRGKZNSWRGA-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.17
Rot. Bonds7

About [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate

[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 2435261) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID2435261
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19NO4/c1-3-18(4-2)14-9-7-13(8-10-14)17(20)22-12-15(19)16-6-5-11-21-16/h5-11H,3-4,12H2,1-2H3
InChIKeyUYNPRGKZNSWRGA-UHFFFAOYSA-N
XLogP3.17
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate (CID 2435261) is [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is UYNPRGKZNSWRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-18(4-2)14-9-7-13(8-10-14)17(20)22-12-15(19)16-6-5-11-21-16/h5-11H,3-4,12H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
[2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 301.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2435261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).