tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C26H44N2O3Si — CID 10906655

About tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10906655) has the molecular formula C26H44N2O3Si and a molecular weight of 460.74 g/mol. Its IUPAC name is tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
• PubChem CID: 10906655
• Molecular Formula: C26H44N2O3Si
• Molecular Weight: 460.74 g/mol
• Exact Mass: 460.31
• IUPAC Name: tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
• SMILES: C/C=C(/CN(C(=O)OC(C)(C)C)C(C(=O)N(CC)CC)C(C)C)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C26H44N2O3Si/c1-11-21(32(9,10)22-17-15-14-16-18-22)19-28(25(30)31-26(6,7)8)23(20(4)5)24(29)27(12-2)13-3/h11,14-18,20,23H,12-13,19H2,1-10H3/b21-11-
• InChIKey: KBGLMUMMIIQUKS-NHDPSOOVSA-N
• XLogP: 5.22
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.74
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?

The IUPAC name of tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10906655) is tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?

The canonical SMILES for tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(C(=O)OC(C)(C)C)C(C(=O)N(CC)CC)C(C)C)[Si](C)(C)c1ccccc1.

What is the InChIKey of tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?

The InChIKey is KBGLMUMMIIQUKS-NHDPSOOVSA-N. The full InChI is InChI=1S/C26H44N2O3Si/c1-11-21(32(9,10)22-17-15-14-16-18-22)19-28(25(30)31-26(6,7)8)23(20(4)5)24(29)27(12-2)13-3/h11,14-18,20,23H,12-13,19H2,1-10H3/b21-11-.

What are the key properties of tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?

tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 460.74 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10906655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).