N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide

C24H55NO4Si3 — CID 91697077

About N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide

N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide (PubChem CID 91697077) has the molecular formula C24H55NO4Si3 and a molecular weight of 505.97 g/mol. Its IUPAC name is N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
• PubChem CID: 91697077
• Molecular Formula: C24H55NO4Si3
• Molecular Weight: 505.97 g/mol
• Exact Mass: 505.34
• IUPAC Name: N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
• SMILES: CC(=O)NC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H55NO4Si3/c1-20(26)25-24(17-27-30(11,12)21(2,3)4,18-28-31(13,14)22(5,6)7)19-29-32(15,16)23(8,9)10/h17-19H2,1-16H3,(H,25,26)
• InChIKey: WCRJHAFPRYUYMJ-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.97
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide?

The IUPAC name of N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide (CID 91697077) is N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide.

What is the SMILES notation for N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide?

The canonical SMILES for N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide is CC(=O)NC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide?

The InChIKey is WCRJHAFPRYUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H55NO4Si3/c1-20(26)25-24(17-27-30(11,12)21(2,3)4,18-28-31(13,14)22(5,6)7)19-29-32(15,16)23(8,9)10/h17-19H2,1-16H3,(H,25,26).

What are the key properties of N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide?

N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide has a molecular weight of 505.97 g/mol, XLogP of 6.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide is sourced from PubChem (CID 91697077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).