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

C23H30F3NO3Si — CID 10766116

IUPACN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C23H30F3NO3Si/c1-22(2,3)31(4,5)30-20-8-6-7-18(15-20)16-27(21(29)23(24,25)26)14-13-17-9-11-19(28)12-10-17/h6-12,15,28H,13-14,16H2,1-5H3
InChIKeyDELNJTIBYDHARC-UHFFFAOYSA-N
MW453.58 g/mol
LogP5.91
Rot. Bonds7

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

N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 10766116) has the molecular formula C23H30F3NO3Si and a molecular weight of 453.58 g/mol. Its IUPAC name is N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID10766116
Molecular FormulaC23H30F3NO3Si
Molecular Weight453.58 g/mol
Exact Mass453.19
IUPAC NameN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C23H30F3NO3Si/c1-22(2,3)31(4,5)30-20-8-6-7-18(15-20)16-27(21(29)23(24,25)26)14-13-17-9-11-19(28)12-10-17/h6-12,15,28H,13-14,16H2,1-5H3
InChIKeyDELNJTIBYDHARC-UHFFFAOYSA-N
XLogP5.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoroacetyl)-1,2,3,4-Tetrahydroisoquinolin-7-Ol
CID 50919273
2,2,2-Trifluoro-1-[7-hydroxy-4-(4-hydroxy-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone
CID 9819159
(S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2,2-dimethylpropan-1-one
CID 44409718
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 10576805
N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 10579178
N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 10813640
N-ethyl-N-(4-fluorobenzyl)-3-(4-hydroxyphenyl)propanamide
CID 56721896
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71849732
Hydroxybenzorex N-TFA-O-TMS
CID 91753852
3-[1-Acetyl-4(2,5-difluorophenyl)-1,2,5,6-tetrahydropyridin-2-yl]phenol
CID 9927455
1-[(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 58641440
1-[4-(2,5-Difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 59656586

Frequently Asked Questions

What is the IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 10766116) is N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is CC(C)(C)[Si](C)(C)Oc1cccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is DELNJTIBYDHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3NO3Si/c1-22(2,3)31(4,5)30-20-8-6-7-18(15-20)16-27(21(29)23(24,25)26)14-13-17-9-11-19(28)12-10-17/h6-12,15,28H,13-14,16H2,1-5H3.
What are the key properties of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 453.58 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10766116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).