2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide

C24H32N2O4Si — CID 157345370

IUPAC2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CC(O)C2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O4Si/c1-30-20-9-7-18(8-10-20)24(25-23(29)16-26-14-19(27)15-26)22(28)13-17-5-11-21(12-6-17)31(2,3)4/h5-12,19,24,27H,13-16H2,1-4H3,(H,25,29)
InChIKeyBGWZYRYREQYFAL-UHFFFAOYSA-N
MW440.62 g/mol
LogP1.89
Rot. Bonds9

About 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide

2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide (PubChem CID 157345370) has the molecular formula C24H32N2O4Si and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
PubChem CID157345370
Molecular FormulaC24H32N2O4Si
Molecular Weight440.62 g/mol
Exact Mass440.21
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CC(O)C2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O4Si/c1-30-20-9-7-18(8-10-20)24(25-23(29)16-26-14-19(27)15-26)22(28)13-17-5-11-21(12-6-17)31(2,3)4/h5-12,19,24,27H,13-16H2,1-4H3,(H,25,29)
InChIKeyBGWZYRYREQYFAL-UHFFFAOYSA-N
XLogP1.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
CID 158706491
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
CID 159432139
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide (CID 157345370) is 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide is COc1ccc(C(NC(=O)CN2CC(O)C2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide?
The InChIKey is BGWZYRYREQYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4Si/c1-30-20-9-7-18(8-10-20)24(25-23(29)16-26-14-19(27)15-26)22(28)13-17-5-11-21(12-6-17)31(2,3)4/h5-12,19,24,27H,13-16H2,1-4H3,(H,25,29).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide?
2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide has a molecular weight of 440.62 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide is sourced from PubChem (CID 157345370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).