ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate

C17H35NO7Si — CID 102422875

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate
SMILESCCOC(=O)CN(CCC[Si](OCC)(OCC)OCC)CC(=O)OCC
InChIInChI=1S/C17H35NO7Si/c1-6-21-16(19)14-18(15-17(20)22-7-2)12-11-13-26(23-8-3,24-9-4)25-10-5/h6-15H2,1-5H3
InChIKeyJDKIEMKOVHUCQO-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.85
Rot. Bonds16

About ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate (PubChem CID 102422875) has the molecular formula C17H35NO7Si and a molecular weight of 393.55 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate
PubChem CID102422875
Molecular FormulaC17H35NO7Si
Molecular Weight393.55 g/mol
Exact Mass393.22
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate
SMILESCCOC(=O)CN(CCC[Si](OCC)(OCC)OCC)CC(=O)OCC
InChIInChI=1S/C17H35NO7Si/c1-6-21-16(19)14-18(15-17(20)22-7-2)12-11-13-26(23-8-3,24-9-4)25-10-5/h6-15H2,1-5H3
InChIKeyJDKIEMKOVHUCQO-UHFFFAOYSA-N
XLogP1.85
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate (CID 102422875) is ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate is CCOC(=O)CN(CCC[Si](OCC)(OCC)OCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate?
The InChIKey is JDKIEMKOVHUCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO7Si/c1-6-21-16(19)14-18(15-17(20)22-7-2)12-11-13-26(23-8-3,24-9-4)25-10-5/h6-15H2,1-5H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate has a molecular weight of 393.55 g/mol, XLogP of 1.85, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-(3-triethoxysilylpropyl)amino]acetate is sourced from PubChem (CID 102422875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).