[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate

C19H19NO3 — CID 4231036

IUPAC[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N(Cc2ccccc2)C1c1ccc(C)cc1
InChIInChI=1S/C19H19NO3/c1-13-8-10-16(11-9-13)17-18(23-14(2)21)19(22)20(17)12-15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyUPQAHSRLTOVTQV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.01
Rot. Bonds4

About [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate

[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate (PubChem CID 4231036) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate
PubChem CID4231036
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N(Cc2ccccc2)C1c1ccc(C)cc1
InChIInChI=1S/C19H19NO3/c1-13-8-10-16(11-9-13)17-18(23-14(2)21)19(22)20(17)12-15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyUPQAHSRLTOVTQV-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate?
The IUPAC name of [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate (CID 4231036) is [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate?
The canonical SMILES for [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate is CC(=O)OC1C(=O)N(Cc2ccccc2)C1c1ccc(C)cc1.
What is the InChIKey of [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate?
The InChIKey is UPQAHSRLTOVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-8-10-16(11-9-13)17-18(23-14(2)21)19(22)20(17)12-15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3.
What are the key properties of [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate?
[1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate has a molecular weight of 309.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-(4-methylphenyl)-4-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 4231036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).