trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C18H28F3NO5Si2 — CID 610540

IUPACtrimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOc1cc(CC(NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H28F3NO5Si2/c1-25-15-11-12(8-9-14(15)26-28(2,3)4)10-13(16(23)27-29(5,6)7)22-17(24)18(19,20)21/h8-9,11,13H,10H2,1-7H3,(H,22,24)
InChIKeyWVVPADUULXLVJX-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.88
Rot. Bonds8

About trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 610540) has the molecular formula C18H28F3NO5Si2 and a molecular weight of 451.59 g/mol. Its IUPAC name is trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID610540
Molecular FormulaC18H28F3NO5Si2
Molecular Weight451.59 g/mol
Exact Mass451.15
IUPAC Nametrimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOc1cc(CC(NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H28F3NO5Si2/c1-25-15-11-12(8-9-14(15)26-28(2,3)4)10-13(16(23)27-29(5,6)7)22-17(24)18(19,20)21/h8-9,11,13H,10H2,1-7H3,(H,22,24)
InChIKeyWVVPADUULXLVJX-UHFFFAOYSA-N
XLogP3.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate with MolForge

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Related Compounds

N-Acetylvanilalanine
CID 12681285
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-5-phenylpentanamide
CID 156017819
methyl N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-D-phenylalaninate
CID 1748444
N-[2-(3,4-dimethoxyphenyl)ethyl]undecanamide
CID 4417744
methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-[5-[(3R)-dithiolan-3-yl]pentanoylamino]propanoate
CID 11698721
N-(3,4-bisacetoxyphenylethyl)octanamide
CID 71528847
(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 141653142
(R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate
CID 4247256
N-Acetyl-3-(3,4-dimethoxyphenyl)-D-alanine
CID 13406744
2-{[(Tert-butoxy)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acid
CID 22336961
methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-[[4-[[(2S)-3-(3,4-diacetyloxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoate
CID 10439470
methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-[[5-[[(2S)-3-(3,4-diacetyloxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 10439599

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 610540) is trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is COc1cc(CC(NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is WVVPADUULXLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3NO5Si2/c1-25-15-11-12(8-9-14(15)26-28(2,3)4)10-13(16(23)27-29(5,6)7)22-17(24)18(19,20)21/h8-9,11,13H,10H2,1-7H3,(H,22,24).
What are the key properties of trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 451.59 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-(3-methoxy-4-trimethylsilyloxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 610540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).