[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate

C22H48N2O9Si2 — CID 123219063

IUPAC[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)CCOC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H48N2O9Si2/c1-7-28-34(29-8-2,30-9-3)19-13-16-23-21(25)15-18-27-22(26)24-17-14-20-35(31-10-4,32-11-5)33-12-6/h7-20H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyCIYLHLIWUJNWMQ-UHFFFAOYSA-N
MW540.80 g/mol
LogP3.10
Rot. Bonds23

About [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate

[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 123219063) has the molecular formula C22H48N2O9Si2 and a molecular weight of 540.80 g/mol. Its IUPAC name is [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID123219063
Molecular FormulaC22H48N2O9Si2
Molecular Weight540.80 g/mol
Exact Mass540.29
IUPAC Name[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)CCOC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H48N2O9Si2/c1-7-28-34(29-8-2,30-9-3)19-13-16-23-21(25)15-18-27-22(26)24-17-14-20-35(31-10-4,32-11-5)33-12-6/h7-20H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyCIYLHLIWUJNWMQ-UHFFFAOYSA-N
XLogP3.10
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate 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

[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
silane;3-triethoxysilylpropylurea
CID 161180470
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate (CID 123219063) is [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)CCOC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is CIYLHLIWUJNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O9Si2/c1-7-28-34(29-8-2,30-9-3)19-13-16-23-21(25)15-18-27-22(26)24-17-14-20-35(31-10-4,32-11-5)33-12-6/h7-20H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate?
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 540.80 g/mol, XLogP of 3.10, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 123219063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).