1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea

C17H30N2O2Si — CID 139253381

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea
SMILESCCNC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O2Si/c1-7-18-16(20)19-13-15(14-11-9-8-10-12-14)21-22(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3,(H2,18,19,20)
InChIKeyYUSMOYKADSPAAE-UHFFFAOYSA-N
MW322.53 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea

1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea (PubChem CID 139253381) has the molecular formula C17H30N2O2Si and a molecular weight of 322.53 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea
PubChem CID139253381
Molecular FormulaC17H30N2O2Si
Molecular Weight322.53 g/mol
Exact Mass322.21
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea
SMILESCCNC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2O2Si/c1-7-18-16(20)19-13-15(14-11-9-8-10-12-14)21-22(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3,(H2,18,19,20)
InChIKeyYUSMOYKADSPAAE-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea (CID 139253381) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea is CCNC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea?
The InChIKey is YUSMOYKADSPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2Si/c1-7-18-16(20)19-13-15(14-11-9-8-10-12-14)21-22(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea?
1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea has a molecular weight of 322.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-ethylurea is sourced from PubChem (CID 139253381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).