12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide

C26H47NO3Si — CID 139995773

IUPAC12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C26H47NO3Si/c1-26(2,3)31(4,5)30-22-14-12-10-8-6-7-9-11-13-15-25(29)27-21-20-23-16-18-24(28)19-17-23/h16-19,28H,6-15,20-22H2,1-5H3,(H,27,29)
InChIKeyGVMMKOSHRHBKRO-UHFFFAOYSA-N
MW449.75 g/mol
LogP6.97
Rot. Bonds16

About 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide

12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide (PubChem CID 139995773) has the molecular formula C26H47NO3Si and a molecular weight of 449.75 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide
PubChem CID139995773
Molecular FormulaC26H47NO3Si
Molecular Weight449.75 g/mol
Exact Mass449.33
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C26H47NO3Si/c1-26(2,3)31(4,5)30-22-14-12-10-8-6-7-9-11-13-15-25(29)27-21-20-23-16-18-24(28)19-17-23/h16-19,28H,6-15,20-22H2,1-5H3,(H,27,29)
InChIKeyGVMMKOSHRHBKRO-UHFFFAOYSA-N
XLogP6.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.75
LogP ≤ 56.97
H-Bond Donors ≤ 52
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

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CID 121051
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CID 10410511
Oleoyl Tyrosine
CID 52922062
(9Z,12Z)-N-(2-(3,4-Dihydroxyphenyl)ethyl)-9,12-octadecadienamide
CID 6439058
(alphaS)-N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)benzenepropanamide
CID 159548
(Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
CID 6604915
N-Stearoyldopamine
CID 10025103
Tyropeptin A
CID 11733963
N-Palmitoyl tyrosine
CID 6710112
Segetalin G
CID 10436647

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide (CID 139995773) is 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide?
The InChIKey is GVMMKOSHRHBKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO3Si/c1-26(2,3)31(4,5)30-22-14-12-10-8-6-7-9-11-13-15-25(29)27-21-20-23-16-18-24(28)19-17-23/h16-19,28H,6-15,20-22H2,1-5H3,(H,27,29).
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide?
12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide has a molecular weight of 449.75 g/mol, XLogP of 6.97, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide is sourced from PubChem (CID 139995773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).