3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide

C28H33N3O4Si — CID 174064329

IUPAC3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccc(CC=O)c(N)c2)cc1
InChIInChI=1S/C28H33N3O4Si/c1-31(28(34)21-7-6-19(16-17-32)25(29)18-21)26(20-8-12-23(35-2)13-9-20)27(33)30-22-10-14-24(15-11-22)36(3,4)5/h6-15,17-18,26H,16,29H2,1-5H3,(H,30,33)
InChIKeyFPHHJVKOYUXLNH-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.02
Rot. Bonds9

About 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide

3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide (PubChem CID 174064329) has the molecular formula C28H33N3O4Si and a molecular weight of 503.68 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
PubChem CID174064329
Molecular FormulaC28H33N3O4Si
Molecular Weight503.68 g/mol
Exact Mass503.22
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccc(CC=O)c(N)c2)cc1
InChIInChI=1S/C28H33N3O4Si/c1-31(28(34)21-7-6-19(16-17-32)25(29)18-21)26(20-8-12-23(35-2)13-9-20)27(33)30-22-10-14-24(15-11-22)36(3,4)5/h6-15,17-18,26H,16,29H2,1-5H3,(H,30,33)
InChIKeyFPHHJVKOYUXLNH-UHFFFAOYSA-N
XLogP4.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 140781398
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 140781358
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
N-[1-[4-(3-methoxypropoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781375
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781189

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide (CID 174064329) is 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2ccc(CC=O)c(N)c2)cc1.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide?
The InChIKey is FPHHJVKOYUXLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4Si/c1-31(28(34)21-7-6-19(16-17-32)25(29)18-21)26(20-8-12-23(35-2)13-9-20)27(33)30-22-10-14-24(15-11-22)36(3,4)5/h6-15,17-18,26H,16,29H2,1-5H3,(H,30,33).
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide?
3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide has a molecular weight of 503.68 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide is sourced from PubChem (CID 174064329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).