methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate

C25H37NO3Si — CID 167364784

IUPACmethyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate
SMILESCCN(CCCC(=O)OC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3Si/c1-6-26(19-13-18-24(27)28-5)20-21-29-30(25(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17H,6,13,18-21H2,1-5H3
InChIKeyVLKARPARALLUMC-UHFFFAOYSA-N
MW427.66 g/mol
LogP3.84
Rot. Bonds11

About methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate

methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate (PubChem CID 167364784) has the molecular formula C25H37NO3Si and a molecular weight of 427.66 g/mol. Its IUPAC name is methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate
PubChem CID167364784
Molecular FormulaC25H37NO3Si
Molecular Weight427.66 g/mol
Exact Mass427.25
IUPAC Namemethyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate
SMILESCCN(CCCC(=O)OC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3Si/c1-6-26(19-13-18-24(27)28-5)20-21-29-30(25(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17H,6,13,18-21H2,1-5H3
InChIKeyVLKARPARALLUMC-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate
CID 166437444
Methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-isocyanobutanoate
CID 57754911
3-[4-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-1-yl]propyl acetate
CID 59161013
[(27Z,30Z)-6-[tert-butyl(diphenyl)silyl]oxyhexatriaconta-8,27,30-trien-18-yl] 4-(dimethylamino)butanoate
CID 67482077
tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 70863180
Butyl 3-[(3-butoxy-3-oxopropyl)-[2-[(3-butoxy-3-oxopropyl)-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]ethyl]amino]propanoate
CID 71179244
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209
6-[Tert-butyl(diphenyl)silyl]oxyhexatriaconta-8,27,30-trien-18-yl 4-(dimethylamino)butanoate
CID 77300442
(6R,8Z,27Z,30Z)-6-(tert-butyldiphenylsilyloxy)hexatriaconta-8,27,30-trien-18-yl 4-(dimethylamino)butanoate
CID 86684843
[(6R)-6-[tert-butyl(diphenyl)silyl]oxyhexatriaconta-8,27,30-trien-18-yl] 4-(dimethylamino)butanoate
CID 123890869
1-[4-[Tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butan-2-one
CID 157059419
4-[tert-butyl(diphenyl)silyl]oxy-N-ethyl-N-methylbutan-1-amine
CID 157577959

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate?
The IUPAC name of methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate (CID 167364784) is methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate.
What is the SMILES notation for methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate?
The canonical SMILES for methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate is CCN(CCCC(=O)OC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate?
The InChIKey is VLKARPARALLUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3Si/c1-6-26(19-13-18-24(27)28-5)20-21-29-30(25(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17H,6,13,18-21H2,1-5H3.
What are the key properties of methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate?
methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate has a molecular weight of 427.66 g/mol, XLogP of 3.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-ethylamino]butanoate is sourced from PubChem (CID 167364784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).