1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea

C19H34N2O4Si — CID 175303138

IUPAC1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
SMILESCCO[Si](CCCCNC(=O)NCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C19H34N2O4Si/c1-4-23-26(24-5-2,25-6-3)17-11-10-15-20-19(22)21-16-14-18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3,(H2,20,21,22)
InChIKeyUYGKQPPPHKYAOE-UHFFFAOYSA-N
MW382.58 g/mol
LogP3.36
Rot. Bonds14

About 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea

1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea (PubChem CID 175303138) has the molecular formula C19H34N2O4Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
PubChem CID175303138
Molecular FormulaC19H34N2O4Si
Molecular Weight382.58 g/mol
Exact Mass382.23
IUPAC Name1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
SMILESCCO[Si](CCCCNC(=O)NCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C19H34N2O4Si/c1-4-23-26(24-5-2,25-6-3)17-11-10-15-20-19(22)21-16-14-18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3,(H2,20,21,22)
InChIKeyUYGKQPPPHKYAOE-UHFFFAOYSA-N
XLogP3.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.36
H-Bond Donors ≤ 52
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-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
1-[carbamoyl(3-triethoxysilylpropyl)amino]-1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea
CID 91406326
ethyl 16-(2-phenylethylcarbamoylamino)hexadec-6-enoate
CID 123960466
1-[(4-ethoxyphenoxy)methyl]-3-(4-phenylbutyl)urea
CID 108890956
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-phenylethyl)urea
CID 11694780
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea (CID 175303138) is 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea is CCO[Si](CCCCNC(=O)NCCc1ccccc1)(OCC)OCC.
What is the InChIKey of 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea?
The InChIKey is UYGKQPPPHKYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4Si/c1-4-23-26(24-5-2,25-6-3)17-11-10-15-20-19(22)21-16-14-18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea?
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea has a molecular weight of 382.58 g/mol, XLogP of 3.36, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea is sourced from PubChem (CID 175303138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).