tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate

C21H37NO3Si — CID 67539980

IUPACtert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-20(2,3)25-19(23)22(18-14-10-9-11-15-18)16-12-13-17-24-26(7,8)21(4,5)6/h9-11,14-15H,12-13,16-17H2,1-8H3
InChIKeySCXCSUDJCPJETM-UHFFFAOYSA-N
MW379.62 g/mol
LogP6.23
Rot. Bonds7

About tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate

tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate (PubChem CID 67539980) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
PubChem CID67539980
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-20(2,3)25-19(23)22(18-14-10-9-11-15-18)16-12-13-17-24-26(7,8)21(4,5)6/h9-11,14-15H,12-13,16-17H2,1-8H3
InChIKeySCXCSUDJCPJETM-UHFFFAOYSA-N
XLogP6.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.62
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572842
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
tert-butyl 2-[3-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propyl]-10-[(2-methylpropan-2-yl)oxycarbonyl-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethylamino]amino]decanoate
CID 22366177
tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
CID 58080821
2-[tert-butyl(dimethyl)silyl]oxy-N,N-diphenylacetamide
CID 24809397
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid;oxane
CID 70374539
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate (CID 67539980) is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate is CC(C)(C)OC(=O)N(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate?
The InChIKey is SCXCSUDJCPJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3Si/c1-20(2,3)25-19(23)22(18-14-10-9-11-15-18)16-12-13-17-24-26(7,8)21(4,5)6/h9-11,14-15H,12-13,16-17H2,1-8H3.
What are the key properties of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate?
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate has a molecular weight of 379.62 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate is sourced from PubChem (CID 67539980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).