tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate

C27H52N2O4Si2 — CID 11763122

IUPACtert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H52N2O4Si2/c1-25(2,3)33-24(30)28-22-14-16-23(17-15-22)29(18-20-31-34(10,11)26(4,5)6)19-21-32-35(12,13)27(7,8)9/h14-17H,18-21H2,1-13H3,(H,28,30)
InChIKeyGOPHAURXVMDFQL-UHFFFAOYSA-N
MW524.90 g/mol
LogP7.88
Rot. Bonds10

About tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate

tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate (PubChem CID 11763122) has the molecular formula C27H52N2O4Si2 and a molecular weight of 524.90 g/mol. Its IUPAC name is tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate
PubChem CID11763122
Molecular FormulaC27H52N2O4Si2
Molecular Weight524.90 g/mol
Exact Mass524.35
IUPAC Nametert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H52N2O4Si2/c1-25(2,3)33-24(30)28-22-14-16-23(17-15-22)29(18-20-31-34(10,11)26(4,5)6)19-21-32-35(12,13)27(7,8)9/h14-17H,18-21H2,1-13H3,(H,28,30)
InChIKeyGOPHAURXVMDFQL-UHFFFAOYSA-N
XLogP7.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.90
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(Diethylamino)ethyl N-phenylcarbamate
CID 19538
Ethanol, 2,2'-(methylimino)bis-, 1,1'-bis(N-phenylcarbamate)
CID 166492
2-Dimethylaminoethyl N-phenylcarbamate
CID 410207
tert-butyl N-{4-[(oxetan-3-yl)amino]phenyl}carbamate
CID 107240402
1-(Dimethylamino)propan-2-yl phenylcarbamate
CID 204162
(2-Hydroxyethyl)triethylammonium iodide carbanilate
CID 458791
(S)-N-[[3-[4-[3-[(tert-butyldimethylsilyl)oxy]-1-azetidinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 54073333
5-Ethoxycarbonylamino-2-((3R)-3-t-butyldimethylsilyloxy-1-pyrrolidinyl)fluorobenzene
CID 57124716
tert-butyl N-(4-amino-2-fluorophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 68186712
N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70195319
(S)-N-[[3-[4-[3-[(tert-butyldimethylsilyl)oxy]-3-methyl-1-azetidinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 70197353
N-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylazetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate (CID 11763122) is tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate?
The InChIKey is GOPHAURXVMDFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N2O4Si2/c1-25(2,3)33-24(30)28-22-14-16-23(17-15-22)29(18-20-31-34(10,11)26(4,5)6)19-21-32-35(12,13)27(7,8)9/h14-17H,18-21H2,1-13H3,(H,28,30).
What are the key properties of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate?
tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate has a molecular weight of 524.90 g/mol, XLogP of 7.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]carbamate is sourced from PubChem (CID 11763122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).