tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate

C23H36N2O4Si — CID 10550707

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
SMILESC/C=C(/CN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O4Si/c1-7-19(30(5,6)20-11-9-8-10-12-20)17-25(22(27)29-23(2,3)4)18-21(26)24-13-15-28-16-14-24/h7-12H,13-18H2,1-6H3/b19-7-
InChIKeyIEUNNGWHLXZGEO-GXHLCREISA-N
MW432.64 g/mol
LogP3.18
Rot. Bonds6

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate (PubChem CID 10550707) has the molecular formula C23H36N2O4Si and a molecular weight of 432.64 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
PubChem CID10550707
Molecular FormulaC23H36N2O4Si
Molecular Weight432.64 g/mol
Exact Mass432.24
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
SMILESC/C=C(/CN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O4Si/c1-7-19(30(5,6)20-11-9-8-10-12-20)17-25(22(27)29-23(2,3)4)18-21(26)24-13-15-28-16-14-24/h7-12H,13-18H2,1-6H3/b19-7-
InChIKeyIEUNNGWHLXZGEO-GXHLCREISA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate (CID 10550707) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate is C/C=C(/CN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The InChIKey is IEUNNGWHLXZGEO-GXHLCREISA-N. The full InChI is InChI=1S/C23H36N2O4Si/c1-7-19(30(5,6)20-11-9-8-10-12-20)17-25(22(27)29-23(2,3)4)18-21(26)24-13-15-28-16-14-24/h7-12H,13-18H2,1-6H3/b19-7-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate has a molecular weight of 432.64 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate is sourced from PubChem (CID 10550707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).