benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate

C29H35NO3Si — CID 58777440

IUPACbenzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C29H35NO3Si/c1-28(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-23-29(20-21-29)30(4)27(31)32-22-24-14-8-5-9-15-24/h5-19H,20-23H2,1-4H3
InChIKeyJJBZYWAVRJQUDC-UHFFFAOYSA-N
MW473.69 g/mol
LogP5.36
Rot. Bonds8

About benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate

benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate (PubChem CID 58777440) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
PubChem CID58777440
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Namebenzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C29H35NO3Si/c1-28(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-23-29(20-21-29)30(4)27(31)32-22-24-14-8-5-9-15-24/h5-19H,20-23H2,1-4H3
InChIKeyJJBZYWAVRJQUDC-UHFFFAOYSA-N
XLogP5.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 55.36
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

benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
benzyl (E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoate
CID 142527042
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 158253839
benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
CID 168947827
benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 102230944
benzyl N-[(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 102230942
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 129285103
benzyl 5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 123263699

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate (CID 58777440) is benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate?
The InChIKey is JJBZYWAVRJQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-28(2,3)34(25-16-10-6-11-17-25,26-18-12-7-13-19-26)33-23-29(20-21-29)30(4)27(31)32-22-24-14-8-5-9-15-24/h5-19H,20-23H2,1-4H3.
What are the key properties of benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate?
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate has a molecular weight of 473.69 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 58777440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).