1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate

C29H35NO3Si — CID 164898861

IUPAC1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate
SMILESCC(OC(=O)C1CN1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-23(24-14-8-5-9-15-24)33-28(31)27-22-30(27)20-21-32-34(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3
InChIKeyBXOQHMMQIDTYST-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.55
Rot. Bonds9

About 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate

1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate (PubChem CID 164898861) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate.

Molecular Properties

Compound Name1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate
PubChem CID164898861
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Name1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate
SMILESCC(OC(=O)C1CN1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-23(24-14-8-5-9-15-24)33-28(31)27-22-30(27)20-21-32-34(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3
InChIKeyBXOQHMMQIDTYST-UHFFFAOYSA-N
XLogP4.55
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate 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

[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
tert-butyl (2R)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
CID 101000099
potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
CID 101000100
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate?
The IUPAC name of 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate (CID 164898861) is 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate.
What is the SMILES notation for 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate?
The canonical SMILES for 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate is CC(OC(=O)C1CN1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate?
The InChIKey is BXOQHMMQIDTYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-23(24-14-8-5-9-15-24)33-28(31)27-22-30(27)20-21-32-34(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3.
What are the key properties of 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate?
1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate has a molecular weight of 473.69 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate is sourced from PubChem (CID 164898861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).