N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide

C23H28N2O5Si — CID 159432139

IUPACN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CC(=O)NO2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O5Si/c1-29-17-9-7-16(8-10-17)22(24-23(28)20-14-21(27)25-30-20)19(26)13-15-5-11-18(12-6-15)31(2,3)4/h5-12,20,22H,13-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLRCPBTKTSCNAGR-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.03
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide

N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide (PubChem CID 159432139) has the molecular formula C23H28N2O5Si and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
PubChem CID159432139
Molecular FormulaC23H28N2O5Si
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CC(=O)NO2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O5Si/c1-29-17-9-7-16(8-10-17)22(24-23(28)20-14-21(27)25-30-20)19(26)13-15-5-11-18(12-6-15)31(2,3)4/h5-12,20,22H,13-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLRCPBTKTSCNAGR-UHFFFAOYSA-N
XLogP2.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.03
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-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
CID 158706491
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-[2-[4-[ethyl(dimethyl)silyl]anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-oxopiperidine-4-carboxamide
CID 140781282
5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 75518874
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide
CID 158342092
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide (CID 159432139) is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide is COc1ccc(C(NC(=O)C2CC(=O)NO2)C(=O)Cc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide?
The InChIKey is LRCPBTKTSCNAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5Si/c1-29-17-9-7-16(8-10-17)22(24-23(28)20-14-21(27)25-30-20)19(26)13-15-5-11-18(12-6-15)31(2,3)4/h5-12,20,22H,13-14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.03, 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-3-(4-trimethylsilylphenyl)propyl]-3-oxo-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 159432139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).