N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide

C17H38N2O7Si2 — CID 174034549

IUPACN-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
SMILESCC[Si](CCCNC(=O)CCC(=O)NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H38N2O7Si2/c1-7-27(22-2,23-3)14-8-12-18-16(20)10-11-17(21)19-13-9-15-28(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMWRKANAGVLLRJJ-UHFFFAOYSA-N
MW438.67 g/mol
LogP1.41
Rot. Bonds17

About N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide

N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide (PubChem CID 174034549) has the molecular formula C17H38N2O7Si2 and a molecular weight of 438.67 g/mol. Its IUPAC name is N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide.

Molecular Properties

Compound NameN-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
PubChem CID174034549
Molecular FormulaC17H38N2O7Si2
Molecular Weight438.67 g/mol
Exact Mass438.22
IUPAC NameN-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
SMILESCC[Si](CCCNC(=O)CCC(=O)NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H38N2O7Si2/c1-7-27(22-2,23-3)14-8-12-18-16(20)10-11-17(21)19-13-9-15-28(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMWRKANAGVLLRJJ-UHFFFAOYSA-N
XLogP1.41
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.67
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034551
methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 22065770
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-(6-aminohexyl)-3-trimethoxysilylpropanamide
CID 59561256
[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034547
4-hydroxy-N-[3-[hydroxymethyl(dimethoxy)silyl]propyl]butanamide
CID 123596951
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
ethyl N-[4-[ethyl(dimethoxy)silyl]butyl]carbamate
CID 22065746
3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
CID 58903441

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide?
The IUPAC name of N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide (CID 174034549) is N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide.
What is the SMILES notation for N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide?
The canonical SMILES for N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide is CC[Si](CCCNC(=O)CCC(=O)NCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide?
The InChIKey is MWRKANAGVLLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O7Si2/c1-7-27(22-2,23-3)14-8-12-18-16(20)10-11-17(21)19-13-9-15-28(24-4,25-5)26-6/h7-15H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide?
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide has a molecular weight of 438.67 g/mol, XLogP of 1.41, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide is sourced from PubChem (CID 174034549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).