1-benzyl-3-phenylmethoxyazetidin-2-one

C17H17NO2 — CID 15386384

IUPAC1-benzyl-3-phenylmethoxyazetidin-2-one
SMILESO=C1C(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-16(20-13-15-9-5-2-6-10-15)12-18(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyOKCDSQFWBCBJSP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.61
Rot. Bonds5

About 1-benzyl-3-phenylmethoxyazetidin-2-one

1-benzyl-3-phenylmethoxyazetidin-2-one (PubChem CID 15386384) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-benzyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-phenylmethoxyazetidin-2-one
PubChem CID15386384
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-benzyl-3-phenylmethoxyazetidin-2-one
SMILESO=C1C(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-16(20-13-15-9-5-2-6-10-15)12-18(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyOKCDSQFWBCBJSP-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

COX inhibitor, 5a
CID 12444099
N-Benzyl-3-benzyloxy-2-pyridone
CID 90335
COX inhibitor, 8
CID 11021865
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3-Benzyl-5-phenyl-oxazolidine-2,4-dione
CID 272805
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
N-benzyl-N-ethyl-2-phenoxypropanamide
CID 2889788
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
CID 11290618
N-[(1R)-1-phenylethyl]-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15349921

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 1-benzyl-3-phenylmethoxyazetidin-2-one (CID 15386384) is 1-benzyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 1-benzyl-3-phenylmethoxyazetidin-2-one is O=C1C(OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is OKCDSQFWBCBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17-16(20-13-15-9-5-2-6-10-15)12-18(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of 1-benzyl-3-phenylmethoxyazetidin-2-one?
1-benzyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 15386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).