Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate

C₂₀H₃₂N₂O₃Si — CID 10571594

About Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate

Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 10571594) has the molecular formula C₂₀H₃₂N₂O₃Si and a molecular weight of 376.57 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
• PubChem CID: 10571594
• Molecular Formula: C₂₀H₃₂N₂O₃Si
• Molecular Weight: 376.57 g/mol
• Exact Mass: 376.22
• IUPAC Name: tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
• SMILES: C/C=C(/CN(CC(=O)NC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C20H32N2O3Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-22(15-18(23)21-5)19(24)25-20(2,3)4/h8-13H,14-15H2,1-7H3,(H,21,23)/b16-8-
• InChIKey: UCFHMIFQBRDJAW-PXNMLYILSA-N
• XLogP: 3.07
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.57
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
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-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?

The IUPAC name of Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate (CID 10571594) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate.

What is the SMILES notation for Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?

The canonical SMILES for Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate is C/C=C(/CN(CC(=O)NC)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-(methylamino)-2-oxoethyl]carbamate?

The InChIKey is UCFHMIFQBRDJAW-PXNMLYILSA-N. The full InChI is InChI=1S/C20H32N2O3Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-22(15-18(23)21-5)19(24)25-20(2,3)4/h8-13H,14-15H2,1-7H3,(H,21,23)/b16-8-.

What are the key properties of Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?

Tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 376.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 10571594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10571594 — identifiers, structure, computed properties (public domain)

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