N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C22H28F3NO4Si — CID 10813640

IUPACN-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1cc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c([Si](C)(C)C)cc1OC
InChIInChI=1S/C22H28F3NO4Si/c1-29-18-12-16(20(31(3,4)5)13-19(18)30-2)14-26(21(28)22(23,24)25)11-10-15-6-8-17(27)9-7-15/h6-9,12-13,27H,10-11,14H2,1-5H3
InChIKeyNGVWOSPIMOPEMT-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.09
Rot. Bonds8

About N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 10813640) has the molecular formula C22H28F3NO4Si and a molecular weight of 455.55 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID10813640
Molecular FormulaC22H28F3NO4Si
Molecular Weight455.55 g/mol
Exact Mass455.17
IUPAC NameN-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1cc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c([Si](C)(C)C)cc1OC
InChIInChI=1S/C22H28F3NO4Si/c1-29-18-12-16(20(31(3,4)5)13-19(18)30-2)14-26(21(28)22(23,24)25)11-10-15-6-8-17(27)9-7-15/h6-9,12-13,27H,10-11,14H2,1-5H3
InChIKeyNGVWOSPIMOPEMT-UHFFFAOYSA-N
XLogP4.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.09
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

Belladine
CID 441586
(2,4-Difluorobenzyl)[2-(3,4-dimethoxyphenyl)ethyl]methylamine
CID 779949
N-(3,4-dimethoxybenzyl)-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide
CID 2945141
N-(3,4-dimethoxybenzyl)-N-(3-(4-methoxyphenyl)-4-methylpentyl)acetamide
CID 3841962
3-[[Ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 127031405
3-[[2-(4-Hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol
CID 127031949
n-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 293382
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 11977894
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
CID 15860088
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
CID 154698619
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylnonanamide
CID 22105026

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 10813640) is N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is COc1cc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)c([Si](C)(C)C)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is NGVWOSPIMOPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3NO4Si/c1-29-18-12-16(20(31(3,4)5)13-19(18)30-2)14-26(21(28)22(23,24)25)11-10-15-6-8-17(27)9-7-15/h6-9,12-13,27H,10-11,14H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 455.55 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-trimethylsilylphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).