2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide

C26H31N3O3Si — CID 140781408

IUPAC2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2ccccn2)cc1
InChIInChI=1S/C26H31N3O3Si/c1-29(24(30)18-21-8-6-7-17-27-21)25(19-9-13-22(32-2)14-10-19)26(31)28-20-11-15-23(16-12-20)33(3,4)5/h6-17,25H,18H2,1-5H3,(H,28,31)
InChIKeyRPKYTWPBEISSAX-UHFFFAOYSA-N
MW461.64 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide

2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide (PubChem CID 140781408) has the molecular formula C26H31N3O3Si and a molecular weight of 461.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
PubChem CID140781408
Molecular FormulaC26H31N3O3Si
Molecular Weight461.64 g/mol
Exact Mass461.21
IUPAC Name2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2ccccn2)cc1
InChIInChI=1S/C26H31N3O3Si/c1-29(24(30)18-21-8-6-7-17-27-21)25(19-9-13-22(32-2)14-10-19)26(31)28-20-11-15-23(16-12-20)33(3,4)5/h6-17,25H,18H2,1-5H3,(H,28,31)
InChIKeyRPKYTWPBEISSAX-UHFFFAOYSA-N
XLogP4.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 140781358
3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
CID 174064329
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 140781398
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
N-(4-methoxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 17408677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide (CID 140781408) is 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide?
The InChIKey is RPKYTWPBEISSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3Si/c1-29(24(30)18-21-8-6-7-17-27-21)25(19-9-13-22(32-2)14-10-19)26(31)28-20-11-15-23(16-12-20)33(3,4)5/h6-17,25H,18H2,1-5H3,(H,28,31).
What are the key properties of 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide?
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide has a molecular weight of 461.64 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide is sourced from PubChem (CID 140781408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).