3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one

C19H19NO3 — CID 56676875

IUPAC3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(OCCNCc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H19NO3/c21-19-18(16-9-5-2-6-10-16)17(14-23-19)22-12-11-20-13-15-7-3-1-4-8-15/h1-10,20H,11-14H2
InChIKeyVJSPIBAPQMOADB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.76
Rot. Bonds7

About 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one

3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one (PubChem CID 56676875) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one
PubChem CID56676875
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(OCCNCc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H19NO3/c21-19-18(16-9-5-2-6-10-16)17(14-23-19)22-12-11-20-13-15-7-3-1-4-8-15/h1-10,20H,11-14H2
InChIKeyVJSPIBAPQMOADB-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one (CID 56676875) is 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one is O=C1OCC(OCCNCc2ccccc2)=C1c1ccccc1.
What is the InChIKey of 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The InChIKey is VJSPIBAPQMOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19-18(16-9-5-2-6-10-16)17(14-23-19)22-12-11-20-13-15-7-3-1-4-8-15/h1-10,20H,11-14H2.
What are the key properties of 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one?
3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one has a molecular weight of 309.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 56676875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).