tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate

C23H40N2O4Si — CID 164539784

IUPACtert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2ccccc2OCOCC[Si](C)(C)C)CC1
InChIInChI=1S/C23H40N2O4Si/c1-23(2,3)29-22(26)25-19-13-11-18(12-14-19)24-20-9-7-8-10-21(20)28-17-27-15-16-30(4,5)6/h7-10,18-19,24H,11-17H2,1-6H3,(H,25,26)
InChIKeyXTZZRGYWEVJTLP-UHFFFAOYSA-N
MW436.67 g/mol
LogP5.63
Rot. Bonds9

About tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate

tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate (PubChem CID 164539784) has the molecular formula C23H40N2O4Si and a molecular weight of 436.67 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate
PubChem CID164539784
Molecular FormulaC23H40N2O4Si
Molecular Weight436.67 g/mol
Exact Mass436.28
IUPAC Nametert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2ccccc2OCOCC[Si](C)(C)C)CC1
InChIInChI=1S/C23H40N2O4Si/c1-23(2,3)29-22(26)25-19-13-11-18(12-14-19)24-20-9-7-8-10-21(20)28-17-27-15-16-30(4,5)6/h7-10,18-19,24H,11-17H2,1-6H3,(H,25,26)
InChIKeyXTZZRGYWEVJTLP-UHFFFAOYSA-N
XLogP5.63
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402
tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
CID 103715400
tert-butyl N-[4-(2-nitroanilino)cyclohexyl]carbamate
CID 59135470
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
CID 103715526
tert-butyl N-[3-[2-(hydroxymethyl)anilino]cyclohexyl]carbamate
CID 103720124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate (CID 164539784) is tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Nc2ccccc2OCOCC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate?
The InChIKey is XTZZRGYWEVJTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O4Si/c1-23(2,3)29-22(26)25-19-13-11-18(12-14-19)24-20-9-7-8-10-21(20)28-17-27-15-16-30(4,5)6/h7-10,18-19,24H,11-17H2,1-6H3,(H,25,26).
What are the key properties of tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate has a molecular weight of 436.67 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate is sourced from PubChem (CID 164539784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).