1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea

C18H32N2O2Si — CID 155933037

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
SMILESCC(C)(C)[Si](C)(C)OCCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C18H32N2O2Si/c1-18(2,3)23(4,5)22-15-9-13-19-17(21)20-14-12-16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3,(H2,19,20,21)
InChIKeyKNMXHNJGAFMLAI-UHFFFAOYSA-N
MW336.55 g/mol
LogP3.94
Rot. Bonds8

About 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea

1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea (PubChem CID 155933037) has the molecular formula C18H32N2O2Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
PubChem CID155933037
Molecular FormulaC18H32N2O2Si
Molecular Weight336.55 g/mol
Exact Mass336.22
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
SMILESCC(C)(C)[Si](C)(C)OCCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C18H32N2O2Si/c1-18(2,3)23(4,5)22-15-9-13-19-17(21)20-14-12-16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3,(H2,19,20,21)
InChIKeyKNMXHNJGAFMLAI-UHFFFAOYSA-N
XLogP3.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-phenylethyl)urea
CID 11694780
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2-phenylethyl)urea
CID 108881954
3-hydroxy-3-methyl-4-(2-phenylethylcarbamoylamino)butanoic acid
CID 66002791
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea (CID 155933037) is 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea is CC(C)(C)[Si](C)(C)OCCCNC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea?
The InChIKey is KNMXHNJGAFMLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2Si/c1-18(2,3)23(4,5)22-15-9-13-19-17(21)20-14-12-16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea?
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea has a molecular weight of 336.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 155933037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).