2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide

C25H34N2O4Si — CID 154406834

IUPAC2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CC2(O)CCCC2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O4Si/c1-31-20-11-7-18(8-12-20)23(27-22(28)17-25(30)15-5-6-16-25)24(29)26-19-9-13-21(14-10-19)32(2,3)4/h7-14,23,30H,5-6,15-17H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyIVZCGAPNSXJJRI-UHFFFAOYSA-N
MW454.64 g/mol
LogP3.73
Rot. Bonds8

About 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide

2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide (PubChem CID 154406834) has the molecular formula C25H34N2O4Si and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
PubChem CID154406834
Molecular FormulaC25H34N2O4Si
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CC2(O)CCCC2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O4Si/c1-31-20-11-7-18(8-12-20)23(27-22(28)17-25(30)15-5-6-16-25)24(29)26-19-9-13-21(14-10-19)32(2,3)4/h7-14,23,30H,5-6,15-17H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyIVZCGAPNSXJJRI-UHFFFAOYSA-N
XLogP3.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The IUPAC name of 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide (CID 154406834) is 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The canonical SMILES for 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide is COc1ccc(C(NC(=O)CC2(O)CCCC2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
The InChIKey is IVZCGAPNSXJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4Si/c1-31-20-11-7-18(8-12-20)23(27-22(28)17-25(30)15-5-6-16-25)24(29)26-19-9-13-21(14-10-19)32(2,3)4/h7-14,23,30H,5-6,15-17H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide?
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide has a molecular weight of 454.64 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide is sourced from PubChem (CID 154406834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).