2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone

C28H34INO2Si — CID 10840818

IUPAC2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone
SMILESCN(Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1I)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34INO2Si/c1-28(2,3)33(5,6)32-24-17-18-25(29)23(19-24)20-30(4)26(21-13-9-7-10-14-21)27(31)22-15-11-8-12-16-22/h7-19,26H,20H2,1-6H3
InChIKeyDTGPYKXMAMPHDZ-UHFFFAOYSA-N
MW571.58 g/mol
LogP7.73
Rot. Bonds8

About 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone

2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone (PubChem CID 10840818) has the molecular formula C28H34INO2Si and a molecular weight of 571.58 g/mol. Its IUPAC name is 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone
PubChem CID10840818
Molecular FormulaC28H34INO2Si
Molecular Weight571.58 g/mol
Exact Mass571.14
IUPAC Name2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone
SMILESCN(Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1I)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34INO2Si/c1-28(2,3)33(5,6)32-24-17-18-25(29)23(19-24)20-30(4)26(21-13-9-7-10-14-21)27(31)22-15-11-8-12-16-22/h7-19,26H,20H2,1-6H3
InChIKeyDTGPYKXMAMPHDZ-UHFFFAOYSA-N
XLogP7.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.58
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone?
The IUPAC name of 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone (CID 10840818) is 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone.
What is the SMILES notation for 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone?
The canonical SMILES for 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone is CN(Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1I)C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone?
The InChIKey is DTGPYKXMAMPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34INO2Si/c1-28(2,3)33(5,6)32-24-17-18-25(29)23(19-24)20-30(4)26(21-13-9-7-10-14-21)27(31)22-15-11-8-12-16-22/h7-19,26H,20H2,1-6H3.
What are the key properties of 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone?
2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone has a molecular weight of 571.58 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[tert-butyl(dimethyl)silyl]oxy-2-iodophenyl]methyl-methylamino]-1,2-diphenylethanone is sourced from PubChem (CID 10840818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).