2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide

C26H42N2O2Si — CID 69423236

About 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide

2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide (PubChem CID 69423236) has the molecular formula C26H42N2O2Si and a molecular weight of 442.72 g/mol. Its IUPAC name is 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide
• PubChem CID: 69423236
• Molecular Formula: C26H42N2O2Si
• Molecular Weight: 442.72 g/mol
• Exact Mass: 442.30
• IUPAC Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide
• SMILES: CCCCCCC[Si](C)(C)NC(=O)CC1(CC)OCCc2c1[nH]c1c(CC)cccc21
• InChI: InChI=1S/C26H42N2O2Si/c1-6-9-10-11-12-18-31(4,5)28-23(29)19-26(8-3)25-22(16-17-30-26)21-15-13-14-20(7-2)24(21)27-25/h13-15,27H,6-12,16-19H2,1-5H3,(H,28,29)
• InChIKey: GEYDDAJTRJQAFD-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.72
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide?

The IUPAC name of 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide (CID 69423236) is 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide.

What is the SMILES notation for 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide?

The canonical SMILES for 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide is CCCCCCC[Si](C)(C)NC(=O)CC1(CC)OCCc2c1[nH]c1c(CC)cccc21.

What is the InChIKey of 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide?

The InChIKey is GEYDDAJTRJQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2Si/c1-6-9-10-11-12-18-31(4,5)28-23(29)19-26(8-3)25-22(16-17-30-26)21-15-13-14-20(7-2)24(21)27-25/h13-15,27H,6-12,16-19H2,1-5H3,(H,28,29).

What are the key properties of 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide?

2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide has a molecular weight of 442.72 g/mol, XLogP of 6.59, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide is sourced from PubChem (CID 69423236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).