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

C18H23NO3 — CID 56676874

IUPAC3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(OCCNC2CCCCC2)=C1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-18-17(14-7-3-1-4-8-14)16(13-22-18)21-12-11-19-15-9-5-2-6-10-15/h1,3-4,7-8,15,19H,2,5-6,9-13H2
InChIKeyJMDIDWMKFMCDHP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds6

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

3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one (PubChem CID 56676874) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one
PubChem CID56676874
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(OCCNC2CCCCC2)=C1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-18-17(14-7-3-1-4-8-14)16(13-22-18)21-12-11-19-15-9-5-2-6-10-15/h1,3-4,7-8,15,19H,2,5-6,9-13H2
InChIKeyJMDIDWMKFMCDHP-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
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-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one (CID 56676874) is 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one is O=C1OCC(OCCNC2CCCCC2)=C1c1ccccc1.
What is the InChIKey of 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one?
The InChIKey is JMDIDWMKFMCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-18-17(14-7-3-1-4-8-14)16(13-22-18)21-12-11-19-15-9-5-2-6-10-15/h1,3-4,7-8,15,19H,2,5-6,9-13H2.
What are the key properties of 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one?
3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one has a molecular weight of 301.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)ethoxy]-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 56676874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).