(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one

C15H21NO2 — CID 10467157

IUPAC(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
SMILESCCCCC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-3-5-10-13-14(15(17)16-13)18-11-12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyJKESJLAHAQAXHL-UONOGXRCSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds7

About (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one (PubChem CID 10467157) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
PubChem CID10467157
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
SMILESCCCCC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-3-5-10-13-14(15(17)16-13)18-11-12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyJKESJLAHAQAXHL-UONOGXRCSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
CID 10353943
(3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(3-phenylpropyl)piperidin-2-one
CID 137394852
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
CID 11775681
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
3-phenylmethoxy-5-undecyloxolan-2-one
CID 140613316
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(5-ethyl-4-phenylmethoxypyrrolidin-3-ylidene)methanone
CID 141170900
4-(1,2-diphenylethyl)-3-phenylmethoxyazetidin-2-one
CID 56983411
dodecylperoxymethylbenzene
CID 88509810
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one (CID 10467157) is (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one is CCCCC[C@@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is JKESJLAHAQAXHL-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-5-10-13-14(15(17)16-13)18-11-12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10467157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).