tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate

C22H39NO3Si — CID 139793833

IUPACtert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NO3Si/c1-20(2,3)26-19(24)23(16-18-14-12-11-13-15-18)22(7,8)17-25-27(9,10)21(4,5)6/h11-15H,16-17H2,1-10H3
InChIKeyCUPBMSFKGNLAOU-UHFFFAOYSA-N
MW393.64 g/mol
LogP6.22
Rot. Bonds6

About tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate

tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate (PubChem CID 139793833) has the molecular formula C22H39NO3Si and a molecular weight of 393.64 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
PubChem CID139793833
Molecular FormulaC22H39NO3Si
Molecular Weight393.64 g/mol
Exact Mass393.27
IUPAC Nametert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NO3Si/c1-20(2,3)26-19(24)23(16-18-14-12-11-13-15-18)22(7,8)17-25-27(9,10)21(4,5)6/h11-15H,16-17H2,1-10H3
InChIKeyCUPBMSFKGNLAOU-UHFFFAOYSA-N
XLogP6.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.64
LogP ≤ 56.22
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

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tert-butyl N-benzyl-N-(methylamino)carbamate
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benzyl (Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate
CID 10698140
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate (CID 139793833) is tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate?
The InChIKey is CUPBMSFKGNLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3Si/c1-20(2,3)26-19(24)23(16-18-14-12-11-13-15-18)22(7,8)17-25-27(9,10)21(4,5)6/h11-15H,16-17H2,1-10H3.
What are the key properties of tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate?
tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate has a molecular weight of 393.64 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 139793833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).