ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate

C18H29NO4Si — CID 171623839

IUPACethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC[Si](C)(C)c1ccccc1)CC(=O)OCC
InChIInChI=1S/C18H29NO4Si/c1-5-22-17(20)14-19(15-18(21)23-6-2)12-13-24(3,4)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyMOLDTZKKVZROSV-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.03
Rot. Bonds10

About ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate

ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate (PubChem CID 171623839) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
PubChem CID171623839
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Nameethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC[Si](C)(C)c1ccccc1)CC(=O)OCC
InChIInChI=1S/C18H29NO4Si/c1-5-22-17(20)14-19(15-18(21)23-6-2)12-13-24(3,4)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyMOLDTZKKVZROSV-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[[2-[3-(acridin-9-ylamino)propylamino]-2-oxoethyl]-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
CID 11376986
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[[2-[7-(acridin-9-ylamino)heptylamino]-2-oxoethyl]-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
CID 11388260
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate (CID 171623839) is ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate is CCOC(=O)CN(CC[Si](C)(C)c1ccccc1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The InChIKey is MOLDTZKKVZROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-5-22-17(20)14-19(15-18(21)23-6-2)12-13-24(3,4)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3.
What are the key properties of ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate?
ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate has a molecular weight of 351.52 g/mol, XLogP of 2.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 171623839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).