[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate

C38H48N2O7Si — CID 23788558

IUPAC[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4C(=O)CC4OC(C)=O)cc3)O[C@@H]2CC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C38H48N2O7Si/c1-26-33(20-13-28-11-14-30(15-12-28)40-36(44)24-37(40)46-27(2)42)47-34(38(26)48(4,5)32-18-16-31(45-3)17-19-32)23-35(43)39(21-22-41)25-29-9-7-6-8-10-29/h6-12,14-19,26,33-34,37-38,41H,13,20-25H2,1-5H3/t26-,33+,34-,37?,38+/m1/s1
InChIKeyFVEQFRXMSYQILX-GNFXDUBUSA-N
MW672.90 g/mol
LogP5.05
Rot. Bonds14

About [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate

[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 23788558) has the molecular formula C38H48N2O7Si and a molecular weight of 672.90 g/mol. Its IUPAC name is [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate
PubChem CID23788558
Molecular FormulaC38H48N2O7Si
Molecular Weight672.90 g/mol
Exact Mass672.32
IUPAC Name[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4C(=O)CC4OC(C)=O)cc3)O[C@@H]2CC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C38H48N2O7Si/c1-26-33(20-13-28-11-14-30(15-12-28)40-36(44)24-37(40)46-27(2)42)47-34(38(26)48(4,5)32-18-16-31(45-3)17-19-32)23-35(43)39(21-22-41)25-29-9-7-6-8-10-29/h6-12,14-19,26,33-34,37-38,41H,13,20-25H2,1-5H3/t26-,33+,34-,37?,38+/m1/s1
InChIKeyFVEQFRXMSYQILX-GNFXDUBUSA-N
XLogP5.05
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-(4-iodophenyl)ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide
CID 23929901
[1-[3-[[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-5-chloro-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate
CID 23873668
N-benzyl-2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23873963
N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide
CID 23929909
N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-5-[2-(4-iodophenyl)ethyl]-4-methyloxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23985518
N-benzyl-2-[(2S,3R,4S,5R)-5-[2-[4-(N-formylanilino)phenyl]ethyl]-3-[hydroxy(dimethyl)silyl]-4-methyloxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23957710
[1-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-4-oxoazetidin-2-yl] acetate
CID 23786733
N-benzyl-2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-[2-[3-(2-oxoazetidin-1-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23957647
N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-5-[2-[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]ethyl]-4-methyloxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23929915
N-benzyl-2-[(2S,3R,4S,5R)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23846045
N-benzyl-2-[(2R,3S,4R,5S)-3-[fluoro(dimethyl)silyl]-4-methyl-5-[2-[4-(6-oxobenzo[b][1,4]benzoxazepin-5-yl)phenyl]ethyl]oxolan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 23873961
1-[4-[2-[(2S,3R,4S,5R)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperazin-2-one
CID 23985481

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate (CID 23788558) is [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate is COc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4C(=O)CC4OC(C)=O)cc3)O[C@@H]2CC(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is FVEQFRXMSYQILX-GNFXDUBUSA-N. The full InChI is InChI=1S/C38H48N2O7Si/c1-26-33(20-13-28-11-14-30(15-12-28)40-36(44)24-37(40)46-27(2)42)47-34(38(26)48(4,5)32-18-16-31(45-3)17-19-32)23-35(43)39(21-22-41)25-29-9-7-6-8-10-29/h6-12,14-19,26,33-34,37-38,41H,13,20-25H2,1-5H3/t26-,33+,34-,37?,38+/m1/s1.
What are the key properties of [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate?
[1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 672.90 g/mol, XLogP of 5.05, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 23788558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).