ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate

C17H37NO8Si — CID 87202795

IUPACethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate
SMILESCCOC(=O)N(CCC[Si](OCC)(OCC)OCC)OC(COC)OCC
InChIInChI=1S/C17H37NO8Si/c1-7-21-16(15-20-6)26-18(17(19)22-8-2)13-12-14-27(23-9-3,24-10-4)25-11-5/h16H,7-15H2,1-6H3
InChIKeyACLGEEVMKVJPJN-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.82
Rot. Bonds17

About ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate

ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate (PubChem CID 87202795) has the molecular formula C17H37NO8Si and a molecular weight of 411.57 g/mol. Its IUPAC name is ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate
PubChem CID87202795
Molecular FormulaC17H37NO8Si
Molecular Weight411.57 g/mol
Exact Mass411.23
IUPAC Nameethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate
SMILESCCOC(=O)N(CCC[Si](OCC)(OCC)OCC)OC(COC)OCC
InChIInChI=1S/C17H37NO8Si/c1-7-21-16(15-20-6)26-18(17(19)22-8-2)13-12-14-27(23-9-3,24-10-4)25-11-5/h16H,7-15H2,1-6H3
InChIKeyACLGEEVMKVJPJN-UHFFFAOYSA-N
XLogP2.82
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
triethoxy(3-methoxypropyl)silane
CID 22712922
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
ethyl N-methoxy-N-(2-methoxyethyl)carbamate
CID 45122902
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate (CID 87202795) is ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate is CCOC(=O)N(CCC[Si](OCC)(OCC)OCC)OC(COC)OCC.
What is the InChIKey of ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is ACLGEEVMKVJPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO8Si/c1-7-21-16(15-20-6)26-18(17(19)22-8-2)13-12-14-27(23-9-3,24-10-4)25-11-5/h16H,7-15H2,1-6H3.
What are the key properties of ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate?
ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 411.57 g/mol, XLogP of 2.82, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-ethoxy-2-methoxyethoxy)-N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 87202795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).