benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate

C29H36FNO3Si — CID 168947827

IUPACbenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
SMILESCN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C29H36FNO3Si/c1-29(2,3)35(26-16-10-6-11-17-26,27-18-12-7-13-19-27)34-21-20-25(30)22-31(4)28(32)33-23-24-14-8-5-9-15-24/h5-19,25H,20-23H2,1-4H3
InChIKeyHGVJKFMDYHACKP-UHFFFAOYSA-N
MW493.70 g/mol
LogP5.56
Rot. Bonds10

About benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate

benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate (PubChem CID 168947827) has the molecular formula C29H36FNO3Si and a molecular weight of 493.70 g/mol. Its IUPAC name is benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
PubChem CID168947827
Molecular FormulaC29H36FNO3Si
Molecular Weight493.70 g/mol
Exact Mass493.24
IUPAC Namebenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
SMILESCN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C29H36FNO3Si/c1-29(2,3)35(26-16-10-6-11-17-26,27-18-12-7-13-19-27)34-21-20-25(30)22-31(4)28(32)33-23-24-14-8-5-9-15-24/h5-19,25H,20-23H2,1-4H3
InChIKeyHGVJKFMDYHACKP-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 158253839
benzyl 5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 123263699
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
benzyl N-[1-[tert-butyl(diphenyl)silyl]oxyhex-4-yn-2-yl]-N-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]carbamate
CID 175229042
benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
3-O-benzyl 1-O-tert-butyl 2-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]propanedioate
CID 166561326
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate (CID 168947827) is benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate is CN(CC(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate?
The InChIKey is HGVJKFMDYHACKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FNO3Si/c1-29(2,3)35(26-16-10-6-11-17-26,27-18-12-7-13-19-27)34-21-20-25(30)22-31(4)28(32)33-23-24-14-8-5-9-15-24/h5-19,25H,20-23H2,1-4H3.
What are the key properties of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate?
benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate has a molecular weight of 493.70 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate is sourced from PubChem (CID 168947827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).