trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate

C26H30N2O6Si — CID 23395510

IUPACtrimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC(C(=O)OC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C26H30N2O6Si/c1-5-15-27(26(32)33-17-19-11-7-6-8-12-19)16-22(25(31)34-18-35(2,3)4)28-23(29)20-13-9-10-14-21(20)24(28)30/h5-14,22H,1,15-18H2,2-4H3
InChIKeyVNYCEEFIYUJSOX-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.90
Rot. Bonds10

About trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate

trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate (PubChem CID 23395510) has the molecular formula C26H30N2O6Si and a molecular weight of 494.62 g/mol. Its IUPAC name is trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
PubChem CID23395510
Molecular FormulaC26H30N2O6Si
Molecular Weight494.62 g/mol
Exact Mass494.19
IUPAC Nametrimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC(C(=O)OC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C26H30N2O6Si/c1-5-15-27(26(32)33-17-19-11-7-6-8-12-19)16-22(25(31)34-18-35(2,3)4)28-23(29)20-13-9-10-14-21(20)24(28)30/h5-14,22H,1,15-18H2,2-4H3
InChIKeyVNYCEEFIYUJSOX-UHFFFAOYSA-N
XLogP3.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate?
The IUPAC name of trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate (CID 23395510) is trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate.
What is the SMILES notation for trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate?
The canonical SMILES for trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate is C=CCN(CC(C(=O)OC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1.
What is the InChIKey of trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate?
The InChIKey is VNYCEEFIYUJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6Si/c1-5-15-27(26(32)33-17-19-11-7-6-8-12-19)16-22(25(31)34-18-35(2,3)4)28-23(29)20-13-9-10-14-21(20)24(28)30/h5-14,22H,1,15-18H2,2-4H3.
What are the key properties of trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate?
trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate has a molecular weight of 494.62 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 2-(1,3-dioxoisoindol-2-yl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 23395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).