tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate

C16H27NO2Si — CID 102250527

IUPACtert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate
SMILESCc1ccc(CN(C(=O)OC(C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-13-8-10-14(11-9-13)12-17(20(5,6)7)15(18)19-16(2,3)4/h8-11H,12H2,1-7H3
InChIKeyNCBQGBBGTRFWCA-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.57
Rot. Bonds3

About tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate

tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate (PubChem CID 102250527) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate
PubChem CID102250527
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Nametert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate
SMILESCc1ccc(CN(C(=O)OC(C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-13-8-10-14(11-9-13)12-17(20(5,6)7)15(18)19-16(2,3)4/h8-11H,12H2,1-7H3
InChIKeyNCBQGBBGTRFWCA-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39379328
methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58338883
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
methyl N-benzyl-N-trimethylsilylcarbamate
CID 11770501
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
[[4-(hydroxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-methylbenzenesulfonate
CID 91361346
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
CID 58261829
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]azanide
CID 144685183

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate?
The IUPAC name of tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate (CID 102250527) is tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate?
The canonical SMILES for tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate is Cc1ccc(CN(C(=O)OC(C)(C)C)[Si](C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate?
The InChIKey is NCBQGBBGTRFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-13-8-10-14(11-9-13)12-17(20(5,6)7)15(18)19-16(2,3)4/h8-11H,12H2,1-7H3.
What are the key properties of tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate?
tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate has a molecular weight of 293.48 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate is sourced from PubChem (CID 102250527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).