N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide

C34H51NO2Si — CID 135078248

About N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide

N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide (PubChem CID 135078248) has the molecular formula C34H51NO2Si and a molecular weight of 533.87 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide.

Molecular Properties

• Compound Name: N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide
• PubChem CID: 135078248
• Molecular Formula: C34H51NO2Si
• Molecular Weight: 533.87 g/mol
• Exact Mass: 533.37
• IUPAC Name: N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide
• SMILES: C=CCC[C@@H]1CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C34H51NO2Si/c1-8-9-20-31-21-22-33(37-38(26(2)3,27(4)5)28(6)7)32(31)23-34(36)35(24-29-16-12-10-13-17-29)25-30-18-14-11-15-19-30/h8,10-19,26-28,31-33H,1,9,20-25H2,2-7H3/t31-,32-,33+/m1/s1
• InChIKey: VTRGNLCZTIBMDR-SLGZMBILSA-N
• XLogP: 9.16
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.87
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide?

The IUPAC name of N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide (CID 135078248) is N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide.

What is the SMILES notation for N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide?

The canonical SMILES for N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide is C=CCC[C@@H]1CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide?

The InChIKey is VTRGNLCZTIBMDR-SLGZMBILSA-N. The full InChI is InChI=1S/C34H51NO2Si/c1-8-9-20-31-21-22-33(37-38(26(2)3,27(4)5)28(6)7)32(31)23-34(36)35(24-29-16-12-10-13-17-29)25-30-18-14-11-15-19-30/h8,10-19,26-28,31-33H,1,9,20-25H2,2-7H3/t31-,32-,33+/m1/s1.

What are the key properties of N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide?

N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide has a molecular weight of 533.87 g/mol, XLogP of 9.16, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibenzyl-2-[(1R,2R,5S)-2-but-3-enyl-5-tri(propan-2-yl)silyloxycyclopentyl]acetamide is sourced from PubChem (CID 135078248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).