1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one

C18H19NO2 — CID 10446461

IUPAC1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one
SMILESCC1(OCc2ccccc2)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO2/c1-18(21-13-16-10-6-3-7-11-16)14-19(17(18)20)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyYMMHQONOFWUEDP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds5

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

1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one (PubChem CID 10446461) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one
PubChem CID10446461
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one
SMILESCC1(OCc2ccccc2)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO2/c1-18(21-13-16-10-6-3-7-11-16)14-19(17(18)20)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyYMMHQONOFWUEDP-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
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
4-Benzyl-6-phenyl-1,4-oxazin-3-one
CID 24980405
(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
(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
tert-butyl N-benzyl-N-[(2R,3R)-3-methyl-2-phenyloxetan-3-yl]carbamate
CID 21608979
tert-butyl N-benzyl-N-[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl]carbamate
CID 21608983
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one (CID 10446461) is 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one is CC1(OCc2ccccc2)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is YMMHQONOFWUEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(21-13-16-10-6-3-7-11-16)14-19(17(18)20)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one?
1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10446461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).