(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C24H41NO3Si — CID 139915959

IUPAC(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCCC(CC)[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C24H41NO3Si/c1-10-19(11-2)22-23(28-29(16(3)4,17(5)6)18(7)8)24(26)25(22)20-12-14-21(27-9)15-13-20/h12-19,22-23H,10-11H2,1-9H3/t22-,23+/m0/s1
InChIKeyQZCODBFIHXSODL-XZOQPEGZSA-N
MW419.68 g/mol
LogP6.41
Rot. Bonds10

About (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 139915959) has the molecular formula C24H41NO3Si and a molecular weight of 419.68 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID139915959
Molecular FormulaC24H41NO3Si
Molecular Weight419.68 g/mol
Exact Mass419.29
IUPAC Name(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCCC(CC)[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C24H41NO3Si/c1-10-19(11-2)22-23(28-29(16(3)4,17(5)6)18(7)8)24(26)25(22)20-12-14-21(27-9)15-13-20/h12-19,22-23H,10-11H2,1-9H3/t22-,23+/m0/s1
InChIKeyQZCODBFIHXSODL-XZOQPEGZSA-N
XLogP6.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.68
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68943315
(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57103539
(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 134920379
(3R,4R)-4-(diethoxymethyl)-3-[(1S)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14207077
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120
(3R,4S)-4-[(1S)-1-hydroxy-3-oxobutyl]-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 139089949
ethyl (2S,3S)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11748384
ethyl (2S,3S)-3-butoxy-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 70322331
methyl (2R,3R)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14486394
(2S)-2-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-2-(prop-2-enylamino)acetonitrile
CID 102308783
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 139915959) is (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is CCC(CC)[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is QZCODBFIHXSODL-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H41NO3Si/c1-10-19(11-2)22-23(28-29(16(3)4,17(5)6)18(7)8)24(26)25(22)20-12-14-21(27-9)15-13-20/h12-19,22-23H,10-11H2,1-9H3/t22-,23+/m0/s1.
What are the key properties of (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 419.68 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxyphenyl)-4-pentan-3-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 139915959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).