4-tert-butyl-3-phenylmethoxyazetidin-2-one

C14H19NO2 — CID 22382240

IUPAC4-tert-butyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)C1NC(=O)C1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKeyDOSNCPUYQQPTLT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds3

About 4-tert-butyl-3-phenylmethoxyazetidin-2-one

4-tert-butyl-3-phenylmethoxyazetidin-2-one (PubChem CID 22382240) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-tert-butyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-phenylmethoxyazetidin-2-one
PubChem CID22382240
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-tert-butyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)C1NC(=O)C1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKeyDOSNCPUYQQPTLT-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 4-tert-butyl-3-phenylmethoxyazetidin-2-one (CID 22382240) is 4-tert-butyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 4-tert-butyl-3-phenylmethoxyazetidin-2-one is CC(C)(C)C1NC(=O)C1OCc1ccccc1.
What is the InChIKey of 4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is DOSNCPUYQQPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-3-phenylmethoxyazetidin-2-one?
4-tert-butyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 22382240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).