3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea

C20H28N2O3Si — CID 22900736

IUPAC3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea
SMILESCN(O)C(=O)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28N2O3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-21-19(23)22(4)24/h5-14,24H,15-16H2,1-4H3,(H,21,23)
InChIKeyXSXYXYRZXSPOGK-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.59
Rot. Bonds6

About 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea

3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea (PubChem CID 22900736) has the molecular formula C20H28N2O3Si and a molecular weight of 372.54 g/mol. Its IUPAC name is 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea.

Molecular Properties

Compound Name3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea
PubChem CID22900736
Molecular FormulaC20H28N2O3Si
Molecular Weight372.54 g/mol
Exact Mass372.19
IUPAC Name3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea
SMILESCN(O)C(=O)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28N2O3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-21-19(23)22(4)24/h5-14,24H,15-16H2,1-4H3,(H,21,23)
InChIKeyXSXYXYRZXSPOGK-UHFFFAOYSA-N
XLogP2.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butyldiphenylsilyloxy)-N-methylethanamine
CID 11823158
1-(2-t-Butyldiphenylsilyloxyethyl)-2-oxoimidazolidine
CID 20190090
3-t-Butyldiphenylsilyloxy-1-carbamoylazetidine
CID 22242839
2-[Tert-butyl(diphenyl)silyl]oxyethylcarbamic acid
CID 22242877
N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]formamide
CID 58715068
N-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropyl]formamide
CID 58715072
1-(2-{[tert-Butyl(diphenyl)silyl]oxy}ethyl)tetrahydropyrimidin-2(1H)-one
CID 58834682
6-Amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione
CID 59187987
1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
CID 70855200
1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea
CID 90098464
1-[5-[Tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea
CID 90098789
1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
CID 90099251

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea?
The IUPAC name of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea (CID 22900736) is 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea.
What is the SMILES notation for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea?
The canonical SMILES for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea is CN(O)C(=O)NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea?
The InChIKey is XSXYXYRZXSPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-21-19(23)22(4)24/h5-14,24H,15-16H2,1-4H3,(H,21,23).
What are the key properties of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea?
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea has a molecular weight of 372.54 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea is sourced from PubChem (CID 22900736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).