3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde

C18H26N2O5Si — CID 176705952

IUPAC3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1N1CCC(=O)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C18H26N2O5Si/c1-24-16-6-5-14(12-21)11-15(16)19-8-7-17(22)20(18(19)23)13-25-9-10-26(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyFWMKUDWVDYNFOP-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.98
Rot. Bonds8

About 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde

3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde (PubChem CID 176705952) has the molecular formula C18H26N2O5Si and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
PubChem CID176705952
Molecular FormulaC18H26N2O5Si
Molecular Weight378.50 g/mol
Exact Mass378.16
IUPAC Name3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1N1CCC(=O)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C18H26N2O5Si/c1-24-16-6-5-14(12-21)11-15(16)19-8-7-17(22)20(18(19)23)13-25-9-10-26(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyFWMKUDWVDYNFOP-UHFFFAOYSA-N
XLogP2.98
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde 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

1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
CID 176886253
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
CID 169114168
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
4-[[3-(5-iodo-2-methoxyphenyl)-2,6-dioxo-1,3-diazinan-1-yl]methylamino]-4-oxobutanoic acid
CID 175998248
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62023908
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 145488236
tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
CID 169195368
4-methoxy-3-[(2-oxoazepan-1-yl)methyl]benzaldehyde
CID 62024268
benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate
CID 169195066

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde (CID 176705952) is 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1N1CCC(=O)N(COCC[Si](C)(C)C)C1=O.
What is the InChIKey of 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde?
The InChIKey is FWMKUDWVDYNFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5Si/c1-24-16-6-5-14(12-21)11-15(16)19-8-7-17(22)20(18(19)23)13-25-9-10-26(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde?
3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde has a molecular weight of 378.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde is sourced from PubChem (CID 176705952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).