4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one

C17H25NO2 — CID 69338065

IUPAC4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
SMILESCCCCC(C)CC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-4-8-14(2)11-16-12-17(19)18(16)20-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3
InChIKeyDKIVBSDMFJSLDG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.94
Rot. Bonds8

About 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one

4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one (PubChem CID 69338065) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
PubChem CID69338065
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
SMILESCCCCC(C)CC1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-4-8-14(2)11-16-12-17(19)18(16)20-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3
InChIKeyDKIVBSDMFJSLDG-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 14811604
4-benzyl-1-butylazetidin-2-one
CID 86190057
(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one
CID 23660469
tert-butyl 2,3-dioxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 15173394
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
CID 141490846

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one?
The IUPAC name of 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one (CID 69338065) is 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one?
The canonical SMILES for 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one is CCCCC(C)CC1CC(=O)N1OCc1ccccc1.
What is the InChIKey of 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one?
The InChIKey is DKIVBSDMFJSLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-8-14(2)11-16-12-17(19)18(16)20-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3.
What are the key properties of 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one?
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 69338065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).