1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea

C18H32N2O4Si — CID 91387423

IUPAC1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CC)c1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32N2O4Si/c1-5-20(17-13-10-9-11-14-17)18(21)19-15-12-16-25(22-6-2,23-7-3)24-8-4/h9-11,13-14H,5-8,12,15-16H2,1-4H3,(H,19,21)
InChIKeyZFPXLZSDMCEEMG-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.66
Rot. Bonds12

About 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea

1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea (PubChem CID 91387423) has the molecular formula C18H32N2O4Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
PubChem CID91387423
Molecular FormulaC18H32N2O4Si
Molecular Weight368.55 g/mol
Exact Mass368.21
IUPAC Name1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CC)c1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32N2O4Si/c1-5-20(17-13-10-9-11-14-17)18(21)19-15-12-16-25(22-6-2,23-7-3)24-8-4/h9-11,13-14H,5-8,12,15-16H2,1-4H3,(H,19,21)
InChIKeyZFPXLZSDMCEEMG-UHFFFAOYSA-N
XLogP3.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 20771518
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
1-[carbamoyl(3-triethoxysilylpropyl)amino]-1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea
CID 91406326
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-[3-(N-[3-[3-(3-triethoxysilylpropylcarbamoyloxy)propyl]phenyl]anilino)phenyl]propyl N-(3-triethoxysilylpropyl)carbamate
CID 21136797
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 175092573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea (CID 91387423) is 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)N(CC)c1ccccc1)(OCC)OCC.
What is the InChIKey of 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea?
The InChIKey is ZFPXLZSDMCEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4Si/c1-5-20(17-13-10-9-11-14-17)18(21)19-15-12-16-25(22-6-2,23-7-3)24-8-4/h9-11,13-14H,5-8,12,15-16H2,1-4H3,(H,19,21).
What are the key properties of 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea?
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea has a molecular weight of 368.55 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 91387423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).