methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

C32H44N2O3Si — CID 58613870

About methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (PubChem CID 58613870) has the molecular formula C32H44N2O3Si and a molecular weight of 532.80 g/mol. Its IUPAC name is methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

Molecular Properties

• Compound Name: methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
• PubChem CID: 58613870
• Molecular Formula: C32H44N2O3Si
• Molecular Weight: 532.80 g/mol
• Exact Mass: 532.31
• IUPAC Name: methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
• SMILES: COC(=O)/C=C/c1ccc2c(c1)CCC2N(CCO[Si](C)(C)C(C)(C)C)CCc1cn(C)c2ccccc12
• InChI: InChI=1S/C32H44N2O3Si/c1-32(2,3)38(6,7)37-21-20-34(19-18-26-23-33(4)29-11-9-8-10-27(26)29)30-16-14-25-22-24(12-15-28(25)30)13-17-31(35)36-5/h8-13,15,17,22-23,30H,14,16,18-21H2,1-7H3/b17-13+
• InChIKey: HGFRMKHOHZBONH-GHRIWEEISA-N
• XLogP: 6.92
• TPSA: 43.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.80
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

The IUPAC name of methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (CID 58613870) is methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

What is the SMILES notation for methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

The canonical SMILES for methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is COC(=O)/C=C/c1ccc2c(c1)CCC2N(CCO[Si](C)(C)C(C)(C)C)CCc1cn(C)c2ccccc12.

What is the InChIKey of methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

The InChIKey is HGFRMKHOHZBONH-GHRIWEEISA-N. The full InChI is InChI=1S/C32H44N2O3Si/c1-32(2,3)38(6,7)37-21-20-34(19-18-26-23-33(4)29-11-9-8-10-27(26)29)30-16-14-25-22-24(12-15-28(25)30)13-17-31(35)36-5/h8-13,15,17,22-23,30H,14,16,18-21H2,1-7H3/b17-13+.

What are the key properties of methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate has a molecular weight of 532.80 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (E)-3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is sourced from PubChem (CID 58613870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).