N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide

C21H45NO5Si — CID 90015314

IUPACN-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide
SMILESCCCCCCCCC(O)CCC(=O)NCC(C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C21H45NO5Si/c1-7-8-9-10-11-12-13-19(23)14-15-20(24)22-18-21(2,3)16-17-28(25-4,26-5)27-6/h19,23H,7-18H2,1-6H3,(H,22,24)
InChIKeyLWTHJWHPJJIPGI-UHFFFAOYSA-N
MW419.68 g/mol
LogP4.29
Rot. Bonds18

About N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide

N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide (PubChem CID 90015314) has the molecular formula C21H45NO5Si and a molecular weight of 419.68 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide
PubChem CID90015314
Molecular FormulaC21H45NO5Si
Molecular Weight419.68 g/mol
Exact Mass419.31
IUPAC NameN-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide
SMILESCCCCCCCCC(O)CCC(=O)NCC(C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C21H45NO5Si/c1-7-8-9-10-11-12-13-19(23)14-15-20(24)22-18-21(2,3)16-17-28(25-4,26-5)27-6/h19,23H,7-18H2,1-6H3,(H,22,24)
InChIKeyLWTHJWHPJJIPGI-UHFFFAOYSA-N
XLogP4.29
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.68
LogP ≤ 54.29
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'}

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Related Compounds

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CID 559005
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CID 57266771
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide?
The IUPAC name of N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide (CID 90015314) is N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide.
What is the SMILES notation for N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide?
The canonical SMILES for N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide is CCCCCCCCC(O)CCC(=O)NCC(C)(C)CC[Si](OC)(OC)OC.
What is the InChIKey of N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide?
The InChIKey is LWTHJWHPJJIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO5Si/c1-7-8-9-10-11-12-13-19(23)14-15-20(24)22-18-21(2,3)16-17-28(25-4,26-5)27-6/h19,23H,7-18H2,1-6H3,(H,22,24).
What are the key properties of N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide?
N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide has a molecular weight of 419.68 g/mol, XLogP of 4.29, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-trimethoxysilylbutyl)-4-hydroxydodecanamide is sourced from PubChem (CID 90015314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).