tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate

C25H29NO2Si — CID 15313504

IUPACtert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26-23(20-14-8-5-9-15-20)29(4,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,26,27)
InChIKeyGADOWNVLJHNMDF-UHFFFAOYSA-N
MW403.60 g/mol
LogP4.68
Rot. Bonds5

About tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate

tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate (PubChem CID 15313504) has the molecular formula C25H29NO2Si and a molecular weight of 403.60 g/mol. Its IUPAC name is tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
PubChem CID15313504
Molecular FormulaC25H29NO2Si
Molecular Weight403.60 g/mol
Exact Mass403.20
IUPAC Nametert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26-23(20-14-8-5-9-15-20)29(4,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,26,27)
InChIKeyGADOWNVLJHNMDF-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl Benzylcarbamate
CID 4615331
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775
tert-butyl N-[4-[bis[3-(dibenzylamino)propyl]amino]butyl]carbamate
CID 145982599
tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
CID 145983561
tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
CID 145983714
Tert-Butyl 4-Iodobenzylcarbamate
CID 46738010
tert-Butyl 3-iodobenzylcarbamate
CID 11645663
tert-butyl N-[[4-[[(3,5-difluorophenyl)methylamino]methyl]phenyl]methyl]carbamate
CID 172438205
tert-butyl N-[[4-[[(4-phenylphenyl)methylamino]methyl]phenyl]methyl]carbamate
CID 172438728
tert-butyl N-(2-fluoro-1,3-diphenylpropyl)carbamate
CID 176423099
tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
CID 102314408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate (CID 15313504) is tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate?
The InChIKey is GADOWNVLJHNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26-23(20-14-8-5-9-15-20)29(4,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,26,27).
What are the key properties of tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate?
tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate has a molecular weight of 403.60 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate is sourced from PubChem (CID 15313504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).