N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide

C25H33N3O4Si — CID 140781282

IUPACN-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
SMILESCC[Si](C)(C)c1ccc(NC(=O)C(NC(=O)C2CCNC(=O)C2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H33N3O4Si/c1-5-33(3,4)21-12-8-19(9-13-21)27-25(31)23(17-6-10-20(32-2)11-7-17)28-24(30)18-14-15-26-22(29)16-18/h6-13,18,23H,5,14-16H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBYOWWKMFZKNWPV-UHFFFAOYSA-N
MW467.64 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide

N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide (PubChem CID 140781282) has the molecular formula C25H33N3O4Si and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
PubChem CID140781282
Molecular FormulaC25H33N3O4Si
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
SMILESCC[Si](C)(C)c1ccc(NC(=O)C(NC(=O)C2CCNC(=O)C2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H33N3O4Si/c1-5-33(3,4)21-12-8-19(9-13-21)27-25(31)23(17-6-10-20(32-2)11-7-17)28-24(30)18-14-15-26-22(29)16-18/h6-13,18,23H,5,14-16H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBYOWWKMFZKNWPV-UHFFFAOYSA-N
XLogP2.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide
CID 170539996
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
(3S)-N-[2-[4-(2,2-dimethylpropyl)-3-fluoroanilino]-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 121316714
(2S)-1-(3-cyclopentylpropanoyl)-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739452

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide (CID 140781282) is N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide is CC[Si](C)(C)c1ccc(NC(=O)C(NC(=O)C2CCNC(=O)C2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is BYOWWKMFZKNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4Si/c1-5-33(3,4)21-12-8-19(9-13-21)27-25(31)23(17-6-10-20(32-2)11-7-17)28-24(30)18-14-15-26-22(29)16-18/h6-13,18,23H,5,14-16H2,1-4H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide?
N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 140781282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).