methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate

C32H41NO5Si — CID 11114317

IUPACmethyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C32H41NO5Si/c1-25(2)33(30(35)38-32(6,29(34)36-7)26-17-11-8-12-18-26)23-24-37-39(31(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25H,23-24H2,1-7H3/t32-/m0/s1
InChIKeySKLNOPUNWACJPX-YTTGMZPUSA-N
MW547.77 g/mol
LogP5.50
Rot. Bonds10

About methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate

methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate (PubChem CID 11114317) has the molecular formula C32H41NO5Si and a molecular weight of 547.77 g/mol. Its IUPAC name is methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate
PubChem CID11114317
Molecular FormulaC32H41NO5Si
Molecular Weight547.77 g/mol
Exact Mass547.28
IUPAC Namemethyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C32H41NO5Si/c1-25(2)33(30(35)38-32(6,29(34)36-7)26-17-11-8-12-18-26)23-24-37-39(31(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25H,23-24H2,1-7H3/t32-/m0/s1
InChIKeySKLNOPUNWACJPX-YTTGMZPUSA-N
XLogP5.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.77
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 16131
CID 16131
CID 44522623
CID 44522623
CID 34000
CID 34000
CID 44522624
CID 44522624
CID 44522626
CID 44522626
CID 122703510
CID 122703510
CID 124087059
CID 124087059
CID 11113721
CID 11113721
CID 15255396
CID 15255396
CID 132969558
CID 132969558
CID 132969559
CID 132969559
CID 134905377
CID 134905377

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate (CID 11114317) is methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate is COC(=O)[C@@](C)(OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?
The InChIKey is SKLNOPUNWACJPX-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H41NO5Si/c1-25(2)33(30(35)38-32(6,29(34)36-7)26-17-11-8-12-18-26)23-24-37-39(31(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25H,23-24H2,1-7H3/t32-/m0/s1.
What are the key properties of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?
methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate has a molecular weight of 547.77 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate is sourced from PubChem (CID 11114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).