N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide

C26H33N3O3Si — CID 140781210

IUPACN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide
SMILESCOc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CC2(C#N)CCCC2)cc1
InChIInChI=1S/C26H33N3O3Si/c1-18(30)28-21-12-13-22(33(3,4)5)25(24(21)19-8-10-20(32-2)11-9-19)29-23(31)16-26(17-27)14-6-7-15-26/h8-13H,6-7,14-16H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyAAUOWUVXBNJZHU-UHFFFAOYSA-N
MW463.65 g/mol
LogP5.28
Rot. Bonds7

About N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide

N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide (PubChem CID 140781210) has the molecular formula C26H33N3O3Si and a molecular weight of 463.65 g/mol. Its IUPAC name is N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide
PubChem CID140781210
Molecular FormulaC26H33N3O3Si
Molecular Weight463.65 g/mol
Exact Mass463.23
IUPAC NameN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide
SMILESCOc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CC2(C#N)CCCC2)cc1
InChIInChI=1S/C26H33N3O3Si/c1-18(30)28-21-12-13-22(33(3,4)5)25(24(21)19-8-10-20(32-2)11-9-19)29-23(31)16-26(17-27)14-6-7-15-26/h8-13H,6-7,14-16H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyAAUOWUVXBNJZHU-UHFFFAOYSA-N
XLogP5.28
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide?
The IUPAC name of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide (CID 140781210) is N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide is COc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CC2(C#N)CCCC2)cc1.
What is the InChIKey of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide?
The InChIKey is AAUOWUVXBNJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3Si/c1-18(30)28-21-12-13-22(33(3,4)5)25(24(21)19-8-10-20(32-2)11-9-19)29-23(31)16-26(17-27)14-6-7-15-26/h8-13H,6-7,14-16H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide?
N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide has a molecular weight of 463.65 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 140781210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).