benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate

C26H39NO4Si — CID 134841447

IUPACbenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate
SMILESCC[C@@H](OCc1ccccc1)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H39NO4Si/c1-7-24(29-18-21-14-10-8-11-15-21)23(20-31-32(5,6)26(2,3)4)27-25(28)30-19-22-16-12-9-13-17-22/h8-17,23-24H,7,18-20H2,1-6H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyRELZOYBBFSWVHF-BJKOFHAPSA-N
MW457.69 g/mol
LogP6.30
Rot. Bonds11

About benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate

benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate (PubChem CID 134841447) has the molecular formula C26H39NO4Si and a molecular weight of 457.69 g/mol. Its IUPAC name is benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate
PubChem CID134841447
Molecular FormulaC26H39NO4Si
Molecular Weight457.69 g/mol
Exact Mass457.26
IUPAC Namebenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate
SMILESCC[C@@H](OCc1ccccc1)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H39NO4Si/c1-7-24(29-18-21-14-10-8-11-15-21)23(20-31-32(5,6)26(2,3)4)27-25(28)30-19-22-16-12-9-13-17-22/h8-17,23-24H,7,18-20H2,1-6H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyRELZOYBBFSWVHF-BJKOFHAPSA-N
XLogP6.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
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(r)-2-[(Benzyloxycarbonyl)amino]butyl acetate
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benzyl N-(2-{[(benzyloxy)carbonyl]amino}propyl)carbamate
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benzyl N-[(E,3R)-1-phenylhept-1-en-3-yl]carbamate
CID 10969370
tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate
CID 71817268

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate (CID 134841447) is benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate is CC[C@@H](OCc1ccccc1)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate?
The InChIKey is RELZOYBBFSWVHF-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H39NO4Si/c1-7-24(29-18-21-14-10-8-11-15-21)23(20-31-32(5,6)26(2,3)4)27-25(28)30-19-22-16-12-9-13-17-22/h8-17,23-24H,7,18-20H2,1-6H3,(H,27,28)/t23-,24+/m0/s1.
What are the key properties of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate?
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate has a molecular weight of 457.69 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate is sourced from PubChem (CID 134841447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).