benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate

C26H37NO4Si — CID 10874139

IUPACbenzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@@H](C(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C26H37NO4Si/c1-20(2)26(3,4)32(6,7)31-19-23(24(28)22-16-12-9-13-17-22)27(5)25(29)30-18-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-/m0/s1
InChIKeyQZJPYLBDDGLCKP-QHCPKHFHSA-N
MW455.67 g/mol
LogP6.16
Rot. Bonds10

About benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate

benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate (PubChem CID 10874139) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
PubChem CID10874139
Molecular FormulaC26H37NO4Si
Molecular Weight455.67 g/mol
Exact Mass455.25
IUPAC Namebenzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@@H](C(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C26H37NO4Si/c1-20(2)26(3,4)32(6,7)31-19-23(24(28)22-16-12-9-13-17-22)27(5)25(29)30-18-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-/m0/s1
InChIKeyQZJPYLBDDGLCKP-QHCPKHFHSA-N
XLogP6.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.67
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate (CID 10874139) is benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate is CC(C)C(C)(C)[Si](C)(C)OC[C@@H](C(=O)c1ccccc1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?
The InChIKey is QZJPYLBDDGLCKP-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-20(2)26(3,4)32(6,7)31-19-23(24(28)22-16-12-9-13-17-22)27(5)25(29)30-18-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-/m0/s1.
What are the key properties of benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?
benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate has a molecular weight of 455.67 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 10874139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).