2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide

C24H33N3O4Si — CID 154406830

IUPAC2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O4Si/c1-31-20-9-5-17(6-10-20)23(26-22(29)16-27-14-13-19(28)15-27)24(30)25-18-7-11-21(12-8-18)32(2,3)4/h5-12,19,23,28H,13-16H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyLAZHGDMZRLOKBP-UHFFFAOYSA-N
MW455.63 g/mol
LogP2.10
Rot. Bonds8

About 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide

2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide (PubChem CID 154406830) has the molecular formula C24H33N3O4Si and a molecular weight of 455.63 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
PubChem CID154406830
Molecular FormulaC24H33N3O4Si
Molecular Weight455.63 g/mol
Exact Mass455.22
IUPAC Name2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O4Si/c1-31-20-9-5-17(6-10-20)23(26-22(29)16-27-14-13-19(28)15-27)24(30)25-18-7-11-21(12-8-18)32(2,3)4/h5-12,19,23,28H,13-16H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyLAZHGDMZRLOKBP-UHFFFAOYSA-N
XLogP2.10
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 140781112
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 140781135
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
2-(4-ethoxyphenyl)-2-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-N-(4-trimethylsilylphenyl)acetamide
CID 154406816
(3S)-N-[2-[3-fluoro-4-(pentamethyl-λ6-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 121321363
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The IUPAC name of 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide (CID 154406830) is 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide is COc1ccc(C(NC(=O)CN2CCC(O)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The InChIKey is LAZHGDMZRLOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4Si/c1-31-20-9-5-17(6-10-20)23(26-22(29)16-27-14-13-19(28)15-27)24(30)25-18-7-11-21(12-8-18)32(2,3)4/h5-12,19,23,28H,13-16H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide has a molecular weight of 455.63 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide is sourced from PubChem (CID 154406830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).