[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate

C22H33NO3Si — CID 70373901

IUPAC[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate
SMILESCC(=O)OC(CNCCc1ccccc1)c1coc([Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C22H33NO3Si/c1-17(24)26-20(15-23-13-12-18-10-8-7-9-11-18)19-14-21(25-16-19)27(5,6)22(2,3)4/h7-11,14,16,20,23H,12-13,15H2,1-6H3
InChIKeyNONRRMLCIGCBNY-UHFFFAOYSA-N
MW387.60 g/mol
LogP4.43
Rot. Bonds8

About [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate

[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate (PubChem CID 70373901) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate.

Molecular Properties

Compound Name[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate
PubChem CID70373901
Molecular FormulaC22H33NO3Si
Molecular Weight387.60 g/mol
Exact Mass387.22
IUPAC Name[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate
SMILESCC(=O)OC(CNCCc1ccccc1)c1coc([Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C22H33NO3Si/c1-17(24)26-20(15-23-13-12-18-10-8-7-9-11-18)19-14-21(25-16-19)27(5,6)22(2,3)4/h7-11,14,16,20,23H,12-13,15H2,1-6H3
InChIKeyNONRRMLCIGCBNY-UHFFFAOYSA-N
XLogP4.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate?
The IUPAC name of [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate (CID 70373901) is [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate.
What is the SMILES notation for [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate?
The canonical SMILES for [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate is CC(=O)OC(CNCCc1ccccc1)c1coc([Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate?
The InChIKey is NONRRMLCIGCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-17(24)26-20(15-23-13-12-18-10-8-7-9-11-18)19-14-21(25-16-19)27(5,6)22(2,3)4/h7-11,14,16,20,23H,12-13,15H2,1-6H3.
What are the key properties of [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate?
[1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate has a molecular weight of 387.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]-2-(2-phenylethylamino)ethyl] acetate is sourced from PubChem (CID 70373901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).