ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate

C16H33NO7Si — CID 170745110

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC[Si](OC)(OC)OC)CCC(=O)OCC
InChIInChI=1S/C16H33NO7Si/c1-6-23-15(18)9-12-17(13-10-16(19)24-7-2)11-8-14-25(20-3,21-4)22-5/h6-14H2,1-5H3
InChIKeyXZCCQZMHRGPONA-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.46
Rot. Bonds15

About ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate (PubChem CID 170745110) has the molecular formula C16H33NO7Si and a molecular weight of 379.53 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
PubChem CID170745110
Molecular FormulaC16H33NO7Si
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC[Si](OC)(OC)OC)CCC(=O)OCC
InChIInChI=1S/C16H33NO7Si/c1-6-23-15(18)9-12-17(13-10-16(19)24-7-2)11-8-14-25(20-3,21-4)22-5/h6-14H2,1-5H3
InChIKeyXZCCQZMHRGPONA-UHFFFAOYSA-N
XLogP1.46
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852370
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150680640
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852033
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate
CID 58383071
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate (CID 170745110) is ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate is CCOC(=O)CCN(CCC[Si](OC)(OC)OC)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate?
The InChIKey is XZCCQZMHRGPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO7Si/c1-6-23-15(18)9-12-17(13-10-16(19)24-7-2)11-8-14-25(20-3,21-4)22-5/h6-14H2,1-5H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate has a molecular weight of 379.53 g/mol, XLogP of 1.46, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate is sourced from PubChem (CID 170745110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).