4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one

C24H23NO2 — CID 22901649

IUPAC4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)C(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23NO2/c1-18(20-13-7-3-8-14-20)25-22(21-15-9-4-10-16-21)23(24(25)26)27-17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3
InChIKeyCVVPNVFSBNITGX-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.92
Rot. Bonds6

About 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one

4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 22901649) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID22901649
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)C(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23NO2/c1-18(20-13-7-3-8-14-20)25-22(21-15-9-4-10-16-21)23(24(25)26)27-17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3
InChIKeyCVVPNVFSBNITGX-UHFFFAOYSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one (CID 22901649) is 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one is CC(c1ccccc1)N1C(=O)C(OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is CVVPNVFSBNITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18(20-13-7-3-8-14-20)25-22(21-15-9-4-10-16-21)23(24(25)26)27-17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3.
What are the key properties of 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one?
4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1-phenylethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 22901649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).