N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide

C25H32N4O3Si — CID 140781395

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(C(NC(=O)C(C)n2nccc2C)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N4O3Si/c1-17-15-16-26-29(17)18(2)24(30)28-23(19-7-11-21(32-3)12-8-19)25(31)27-20-9-13-22(14-10-20)33(4,5)6/h7-16,18,23H,1-6H3,(H,27,31)(H,28,30)
InChIKeyPEEHUHKGWPVTSY-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.80
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 140781395) has the molecular formula C25H32N4O3Si and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID140781395
Molecular FormulaC25H32N4O3Si
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc(C(NC(=O)C(C)n2nccc2C)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N4O3Si/c1-17-15-16-26-29(17)18(2)24(30)28-23(19-7-11-21(32-3)12-8-19)25(31)27-20-9-13-22(14-10-20)33(4,5)6/h7-16,18,23H,1-6H3,(H,27,31)(H,28,30)
InChIKeyPEEHUHKGWPVTSY-UHFFFAOYSA-N
XLogP3.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.80
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-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
(2R)-N-(7-methoxyquinolin-3-yl)-2-(5-methylpyrazol-1-yl)propanamide
CID 95744977
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 140781135
N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
CID 140781282
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781408
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide (CID 140781395) is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide is COc1ccc(C(NC(=O)C(C)n2nccc2C)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is PEEHUHKGWPVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3Si/c1-17-15-16-26-29(17)18(2)24(30)28-23(19-7-11-21(32-3)12-8-19)25(31)27-20-9-13-22(14-10-20)33(4,5)6/h7-16,18,23H,1-6H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 464.64 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 140781395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).