(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one

C27H29NO3Si — CID 11812305

IUPAC(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@]1(O[Si](C)(C)c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29NO3Si/c1-5-20-27(31-32(3,4)24-14-10-7-11-15-24)25(21-12-8-6-9-13-21)28(26(27)29)22-16-18-23(30-2)19-17-22/h5-19,25H,1,20H2,2-4H3/t25-,27+/m0/s1
InChIKeyLZSQBJLVXRQXPU-AHKZPQOWSA-N
MW443.62 g/mol
LogP5.23
Rot. Bonds8

About (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one

(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one (PubChem CID 11812305) has the molecular formula C27H29NO3Si and a molecular weight of 443.62 g/mol. Its IUPAC name is (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one
PubChem CID11812305
Molecular FormulaC27H29NO3Si
Molecular Weight443.62 g/mol
Exact Mass443.19
IUPAC Name(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@]1(O[Si](C)(C)c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29NO3Si/c1-5-20-27(31-32(3,4)24-14-10-7-11-15-24)25(21-12-8-6-9-13-21)28(26(27)29)22-16-18-23(30-2)19-17-22/h5-19,25H,1,20H2,2-4H3/t25-,27+/m0/s1
InChIKeyLZSQBJLVXRQXPU-AHKZPQOWSA-N
XLogP5.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
CID 100929834
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(3S,4R)-3-benzylsulfanyl-3-methoxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 101404324
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
CID 15260095
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one (CID 11812305) is (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one is C=CC[C@]1(O[Si](C)(C)c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one?
The InChIKey is LZSQBJLVXRQXPU-AHKZPQOWSA-N. The full InChI is InChI=1S/C27H29NO3Si/c1-5-20-27(31-32(3,4)24-14-10-7-11-15-24)25(21-12-8-6-9-13-21)28(26(27)29)22-16-18-23(30-2)19-17-22/h5-19,25H,1,20H2,2-4H3/t25-,27+/m0/s1.
What are the key properties of (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one?
(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one has a molecular weight of 443.62 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).