2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide

C19H43N3O8Si2 — CID 10289103

IUPAC2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
SMILESCCO[Si](CCCNC(=O)N(C)CC(=O)NCCC[Si](OC)(OC)OC)(OCC)OCC
InChIInChI=1S/C19H43N3O8Si2/c1-8-28-32(29-9-2,30-10-3)16-12-14-21-19(24)22(4)17-18(23)20-13-11-15-31(25-5,26-6)27-7/h8-17H2,1-7H3,(H,20,23)(H,21,24)
InChIKeyZQWINAMSTQNAGO-UHFFFAOYSA-N
MW497.74 g/mol
LogP1.45
Rot. Bonds19

About 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide

2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide (PubChem CID 10289103) has the molecular formula C19H43N3O8Si2 and a molecular weight of 497.74 g/mol. Its IUPAC name is 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
PubChem CID10289103
Molecular FormulaC19H43N3O8Si2
Molecular Weight497.74 g/mol
Exact Mass497.26
IUPAC Name2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
SMILESCCO[Si](CCCNC(=O)N(C)CC(=O)NCCC[Si](OC)(OC)OC)(OCC)OCC
InChIInChI=1S/C19H43N3O8Si2/c1-8-28-32(29-9-2,30-10-3)16-12-14-21-19(24)22(4)17-18(23)20-13-11-15-31(25-5,26-6)27-7/h8-17H2,1-7H3,(H,20,23)(H,21,24)
InChIKeyZQWINAMSTQNAGO-UHFFFAOYSA-N
XLogP1.45
TPSA116.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(3-triethoxysilylpropyl)butanamide
CID 20829613
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide?
The IUPAC name of 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide (CID 10289103) is 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide.
What is the SMILES notation for 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide?
The canonical SMILES for 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide is CCO[Si](CCCNC(=O)N(C)CC(=O)NCCC[Si](OC)(OC)OC)(OCC)OCC.
What is the InChIKey of 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide?
The InChIKey is ZQWINAMSTQNAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O8Si2/c1-8-28-32(29-9-2,30-10-3)16-12-14-21-19(24)22(4)17-18(23)20-13-11-15-31(25-5,26-6)27-7/h8-17H2,1-7H3,(H,20,23)(H,21,24).
What are the key properties of 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide?
2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide has a molecular weight of 497.74 g/mol, XLogP of 1.45, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide is sourced from PubChem (CID 10289103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).