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

C29H39N3O5Si — CID 67887807

IUPACN-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide
SMILESCC(C)(C)[Si](C)(C)OCCC1C(N(C(=O)CN2CCOC2=O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H39N3O5Si/c1-29(2,3)38(4,5)37-18-16-24-26(27(34)31(24)20-22-12-8-6-9-13-22)32(23-14-10-7-11-15-23)25(33)21-30-17-19-36-28(30)35/h6-15,24,26H,16-21H2,1-5H3
InChIKeyHQERQPSSWGQKKN-UHFFFAOYSA-N
MW537.73 g/mol
LogP4.66
Rot. Bonds10

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

N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide (PubChem CID 67887807) has the molecular formula C29H39N3O5Si and a molecular weight of 537.73 g/mol. Its IUPAC name is N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide
PubChem CID67887807
Molecular FormulaC29H39N3O5Si
Molecular Weight537.73 g/mol
Exact Mass537.27
IUPAC NameN-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide
SMILESCC(C)(C)[Si](C)(C)OCCC1C(N(C(=O)CN2CCOC2=O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H39N3O5Si/c1-29(2,3)38(4,5)37-18-16-24-26(27(34)31(24)20-22-12-8-6-9-13-22)32(23-14-10-7-11-15-23)25(33)21-30-17-19-36-28(30)35/h6-15,24,26H,16-21H2,1-5H3
InChIKeyHQERQPSSWGQKKN-UHFFFAOYSA-N
XLogP4.66
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.73
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide?
The IUPAC name of N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide (CID 67887807) is N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide is CC(C)(C)[Si](C)(C)OCCC1C(N(C(=O)CN2CCOC2=O)c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide?
The InChIKey is HQERQPSSWGQKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O5Si/c1-29(2,3)38(4,5)37-18-16-24-26(27(34)31(24)20-22-12-8-6-9-13-22)32(23-14-10-7-11-15-23)25(33)21-30-17-19-36-28(30)35/h6-15,24,26H,16-21H2,1-5H3.
What are the key properties of N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide?
N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide has a molecular weight of 537.73 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 67887807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).