1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea

C18H32N2O4Si — CID 19422857

IUPAC1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)NCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32N2O4Si/c1-4-22-25(23-5-2,24-6-3)16-10-14-19-18(21)20-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,19,20,21)
InChIKeySBXZAPQXCPEQDH-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.97
Rot. Bonds13

About 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea

1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea (PubChem CID 19422857) has the molecular formula C18H32N2O4Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea
PubChem CID19422857
Molecular FormulaC18H32N2O4Si
Molecular Weight368.55 g/mol
Exact Mass368.21
IUPAC Name1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)NCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32N2O4Si/c1-4-22-25(23-5-2,24-6-3)16-10-14-19-18(21)20-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,19,20,21)
InChIKeySBXZAPQXCPEQDH-UHFFFAOYSA-N
XLogP2.97
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.97
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'}

Analyze 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea 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

N-(tert-butyl)-N'-phenethylurea
CID 306674
3,3-Dimethyl-1-(2-phenylethyl)urea
CID 12441924
Urea, N-(1-phenylethyl)-N'-(3-(triethoxysilyl)propyl)-
CID 111951
Urea, 1-ethyl-3-phenethyl-
CID 3051652
(z)-1-(Octadec-9-en-1-yl)-3-benzylurea
CID 71770430
1-benzyl-3-[(Z)-heptadec-8-enyl]urea
CID 71770550
1,1-Dimethyl-3-(3-phenylpropyl)urea
CID 12490327
1,1-Dimethyl-3-(4-phenylbutyl)urea
CID 108484733
2-trimethylsilylethyl N-(2-phenylethyl)carbamate
CID 10825605
N-isopropyl-N'-(2-phenylethyl)urea
CID 23548379
N-(benzyl)N'-(3-(triethoxysilyl)propyl)urea
CID 140160253
1-Benzyl-3-octadecylurea
CID 23574256

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea (CID 19422857) is 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)NCCc1ccccc1)(OCC)OCC.
What is the InChIKey of 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea?
The InChIKey is SBXZAPQXCPEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4Si/c1-4-22-25(23-5-2,24-6-3)16-10-14-19-18(21)20-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea?
1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea has a molecular weight of 368.55 g/mol, XLogP of 2.97, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 19422857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).