1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide

C24H29N3O3Si — CID 140781398

IUPAC1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C24H29N3O3Si/c1-27(23(29)24(16-25)14-15-24)21(17-6-10-19(30-2)11-7-17)22(28)26-18-8-12-20(13-9-18)31(3,4)5/h6-13,21H,14-15H2,1-5H3,(H,26,28)
InChIKeyMWTOOIIZWLVXCK-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.68
Rot. Bonds7

About 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide

1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 140781398) has the molecular formula C24H29N3O3Si and a molecular weight of 435.60 g/mol. Its IUPAC name is 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID140781398
Molecular FormulaC24H29N3O3Si
Molecular Weight435.60 g/mol
Exact Mass435.20
IUPAC Name1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C24H29N3O3Si/c1-27(23(29)24(16-25)14-15-24)21(17-6-10-19(30-2)11-7-17)22(28)26-18-8-12-20(13-9-18)31(3,4)5/h6-13,21H,14-15H2,1-5H3,(H,26,28)
InChIKeyMWTOOIIZWLVXCK-UHFFFAOYSA-N
XLogP3.68
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

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
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
CID 174064329
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 140781358
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
CID 121316815
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-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide (CID 140781398) is 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)C2(C#N)CC2)cc1.
What is the InChIKey of 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is MWTOOIIZWLVXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3Si/c1-27(23(29)24(16-25)14-15-24)21(17-6-10-19(30-2)11-7-17)22(28)26-18-8-12-20(13-9-18)31(3,4)5/h6-13,21H,14-15H2,1-5H3,(H,26,28).
What are the key properties of 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide?
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 140781398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).