1,1-dipropyl-3-(3-triethoxysilylpropyl)urea

C16H36N2O4Si — CID 59782779

IUPAC1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
SMILESCCCN(CCC)C(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H36N2O4Si/c1-6-13-18(14-7-2)16(19)17-12-11-15-23(20-8-3,21-9-4)22-10-5/h6-15H2,1-5H3,(H,17,19)
InChIKeyCJNFPHVWZKGYDV-UHFFFAOYSA-N
MW348.56 g/mol
LogP3.26
Rot. Bonds14

About 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea

1,1-dipropyl-3-(3-triethoxysilylpropyl)urea (PubChem CID 59782779) has the molecular formula C16H36N2O4Si and a molecular weight of 348.56 g/mol. Its IUPAC name is 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
PubChem CID59782779
Molecular FormulaC16H36N2O4Si
Molecular Weight348.56 g/mol
Exact Mass348.24
IUPAC Name1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
SMILESCCCN(CCC)C(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H36N2O4Si/c1-6-13-18(14-7-2)16(19)17-12-11-15-23(20-8-3,21-9-4)22-10-5/h6-15H2,1-5H3,(H,17,19)
InChIKeyCJNFPHVWZKGYDV-UHFFFAOYSA-N
XLogP3.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.26
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'}

Analyze 1,1-dipropyl-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

1-[2-(methylamino)ethyl]-1-[2-(phosphanylamino)ethyl]-3-(3-triethoxysilylpropyl)urea;propan-2-one
CID 160690562
1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
CID 22964411
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
CID 10289103
1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea
CID 90444026
[2-[[(2S)-1-hexadecoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-[3-[3-[[2-[[(2S)-1-hexadecoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-dimethylazaniumyl]propyl-(3-triethoxysilylpropylcarbamoyl)amino]propyl]-dimethylazanium
CID 101258127

Frequently Asked Questions

What is the IUPAC name of 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea (CID 59782779) is 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea is CCCN(CCC)C(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea?
The InChIKey is CJNFPHVWZKGYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O4Si/c1-6-13-18(14-7-2)16(19)17-12-11-15-23(20-8-3,21-9-4)22-10-5/h6-15H2,1-5H3,(H,17,19).
What are the key properties of 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea?
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea has a molecular weight of 348.56 g/mol, XLogP of 3.26, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropyl-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 59782779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).