N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C24H32F3NO4Si — CID 10576805

IUPACN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32F3NO4Si/c1-23(2,3)33(5,6)32-21-15-18(9-12-20(21)31-4)16-28(22(30)24(25,26)27)14-13-17-7-10-19(29)11-8-17/h7-12,15,29H,13-14,16H2,1-6H3
InChIKeyKDNNAQDITLZASB-UHFFFAOYSA-N
MW483.60 g/mol
LogP5.92
Rot. Bonds8

About N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 10576805) has the molecular formula C24H32F3NO4Si and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID10576805
Molecular FormulaC24H32F3NO4Si
Molecular Weight483.60 g/mol
Exact Mass483.21
IUPAC NameN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32F3NO4Si/c1-23(2,3)33(5,6)32-21-15-18(9-12-20(21)31-4)16-28(22(30)24(25,26)27)14-13-17-7-10-19(29)11-8-17/h7-12,15,29H,13-14,16H2,1-6H3
InChIKeyKDNNAQDITLZASB-UHFFFAOYSA-N
XLogP5.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxybenzyl)-N-(3-(4-methoxyphenyl)-4-methylpentyl)acetamide
CID 3841962
n-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 293382
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide
CID 22105026
4'-O,N-dimethylnorbelladine
CID 280283
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoro-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide
CID 16758985
N-[(6-bromo-3-hydroxy-4-methoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyp henyl)ethyl]acetamide
CID 1257616
5-[[4-Aminobutyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol;2,2,2-trifluoroacetic acid
CID 49796746
4-[[3-Aminopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol;2,2,2-trifluoroacetic acid
CID 49796767
5-[[3-Aminopropyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol;2,2,2-trifluoroacetic acid
CID 49796772
4,4'-((Butylazanediyl)bis(methylene))bis(2-methoxyphenol)
CID 134689869
4-[[6-Hydroxyhexyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 145980640
4-[[4-Hydroxybutyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 145981294

Frequently Asked Questions

What is the IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 10576805) is N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is COc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is KDNNAQDITLZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3NO4Si/c1-23(2,3)33(5,6)32-21-15-18(9-12-20(21)31-4)16-28(22(30)24(25,26)27)14-13-17-7-10-19(29)11-8-17/h7-12,15,29H,13-14,16H2,1-6H3.
What are the key properties of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 483.60 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10576805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).