(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C32H33NO3Si — CID 15262819

IUPAC(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H33NO3Si/c1-32(2,3)37(27-16-10-6-11-17-27,28-18-12-7-13-19-28)36-30-29(24-14-8-5-9-15-24)33(31(30)34)25-20-22-26(35-4)23-21-25/h5-23,29-30H,1-4H3/t29-,30-/m1/s1
InChIKeyMYBRHGMUILIGNP-LOYHVIPDSA-N
MW507.71 g/mol
LogP5.73
Rot. Bonds7

About (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 15262819) has the molecular formula C32H33NO3Si and a molecular weight of 507.71 g/mol. Its IUPAC name is (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID15262819
Molecular FormulaC32H33NO3Si
Molecular Weight507.71 g/mol
Exact Mass507.22
IUPAC Name(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H33NO3Si/c1-32(2,3)37(27-16-10-6-11-17-27,28-18-12-7-13-19-28)36-30-29(24-14-8-5-9-15-24)33(31(30)34)25-20-22-26(35-4)23-21-25/h5-23,29-30H,1-4H3/t29-,30-/m1/s1
InChIKeyMYBRHGMUILIGNP-LOYHVIPDSA-N
XLogP5.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.71
LogP ≤ 55.73
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

(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57103539
(3S,4R)-3-amino-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 57089287
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 10696962
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 15262819) is (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is COc1ccc(N2C(=O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is MYBRHGMUILIGNP-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H33NO3Si/c1-32(2,3)37(27-16-10-6-11-17-27,28-18-12-7-13-19-28)36-30-29(24-14-8-5-9-15-24)33(31(30)34)25-20-22-26(35-4)23-21-25/h5-23,29-30H,1-4H3/t29-,30-/m1/s1.
What are the key properties of (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 507.71 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 15262819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).