N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C35H36N2O4Si — CID 10507402

IUPACN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H36N2O4Si/c1-24-20-21-31(36-32(38)22-37-33(39)28-18-12-13-19-29(28)34(37)40)25(2)30(24)23-41-42(35(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-21H,22-23H2,1-5H3,(H,36,38)
InChIKeyJITLCSSWJHKJHA-UHFFFAOYSA-N
MW576.77 g/mol
LogP5.61
Rot. Bonds8

About N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 10507402) has the molecular formula C35H36N2O4Si and a molecular weight of 576.77 g/mol. Its IUPAC name is N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID10507402
Molecular FormulaC35H36N2O4Si
Molecular Weight576.77 g/mol
Exact Mass576.24
IUPAC NameN-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H36N2O4Si/c1-24-20-21-31(36-32(38)22-37-33(39)28-18-12-13-19-29(28)34(37)40)25(2)30(24)23-41-42(35(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-21H,22-23H2,1-5H3,(H,36,38)
InChIKeyJITLCSSWJHKJHA-UHFFFAOYSA-N
XLogP5.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 10507402) is N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is JITLCSSWJHKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O4Si/c1-24-20-21-31(36-32(38)22-37-33(39)28-18-12-13-19-29(28)34(37)40)25(2)30(24)23-41-42(35(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-21H,22-23H2,1-5H3,(H,36,38).
What are the key properties of N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 576.77 g/mol, XLogP of 5.61, 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(diphenyl)silyl]oxymethyl]-2,4-dimethylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 10507402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).