2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate

C26H43N3O5Si — CID 86626202

About 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate

2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate (PubChem CID 86626202) has the molecular formula C26H43N3O5Si and a molecular weight of 505.73 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate
• PubChem CID: 86626202
• Molecular Formula: C26H43N3O5Si
• Molecular Weight: 505.73 g/mol
• Exact Mass: 505.30
• IUPAC Name: 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate
• SMILES: CON(C)C(=O)c1cccc(C(=O)N[C@@H](CC2CCCCC2)CN(C)C(=O)OCC[Si](C)(C)C)c1
• InChI: InChI=1S/C26H43N3O5Si/c1-28(26(32)34-15-16-35(4,5)6)19-23(17-20-11-8-7-9-12-20)27-24(30)21-13-10-14-22(18-21)25(31)29(2)33-3/h10,13-14,18,20,23H,7-9,11-12,15-17,19H2,1-6H3,(H,27,30)/t23-/m0/s1
• InChIKey: WUGVMDSCEIMWGR-QHCPKHFHSA-N
• XLogP: 4.80
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.73
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate?

The IUPAC name of 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate (CID 86626202) is 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate.

What is the SMILES notation for 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate?

The canonical SMILES for 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate is CON(C)C(=O)c1cccc(C(=O)N[C@@H](CC2CCCCC2)CN(C)C(=O)OCC[Si](C)(C)C)c1.

What is the InChIKey of 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate?

The InChIKey is WUGVMDSCEIMWGR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H43N3O5Si/c1-28(26(32)34-15-16-35(4,5)6)19-23(17-20-11-8-7-9-12-20)27-24(30)21-13-10-14-22(18-21)25(31)29(2)33-3/h10,13-14,18,20,23H,7-9,11-12,15-17,19H2,1-6H3,(H,27,30)/t23-/m0/s1.

What are the key properties of 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate?

2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate has a molecular weight of 505.73 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 86626202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).