N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide

C29H39N3O5Si — CID 22840839

About N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide

N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide (PubChem CID 22840839) has the molecular formula C29H39N3O5Si and a molecular weight of 537.73 g/mol. Its IUPAC name is N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide
• PubChem CID: 22840839
• Molecular Formula: C29H39N3O5Si
• Molecular Weight: 537.73 g/mol
• Exact Mass: 537.27
• IUPAC Name: N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide
• SMILES: CC(C)(C)[Si](C)(C)OCC[C@H]1[C@@H](NC(=O)C(c2ccccc2)N2CCOC2=O)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C29H39N3O5Si/c1-29(2,3)38(4,5)37-18-16-23-24(27(34)32(23)20-21-12-8-6-9-13-21)30-26(33)25(22-14-10-7-11-15-22)31-17-19-36-28(31)35/h6-15,23-25H,16-20H2,1-5H3,(H,30,33)/t23-,24+,25?/m0/s1
• InChIKey: DMXLTHGUBCWMSH-ZXABPTRBSA-N
• XLogP: 4.49
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.73
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide?

The IUPAC name of N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide (CID 22840839) is N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide.

What is the SMILES notation for N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide?

The canonical SMILES for N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide is CC(C)(C)[Si](C)(C)OCC[C@H]1[C@@H](NC(=O)C(c2ccccc2)N2CCOC2=O)C(=O)N1Cc1ccccc1.

What is the InChIKey of N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide?

The InChIKey is DMXLTHGUBCWMSH-ZXABPTRBSA-N. The full InChI is InChI=1S/C29H39N3O5Si/c1-29(2,3)38(4,5)37-18-16-23-24(27(34)32(23)20-21-12-8-6-9-13-21)30-26(33)25(22-14-10-7-11-15-22)31-17-19-36-28(31)35/h6-15,23-25H,16-20H2,1-5H3,(H,30,33)/t23-,24+,25?/m0/s1.

What are the key properties of N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide?

N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide has a molecular weight of 537.73 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 22840839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).