N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide

C28H40N2O3Si2 — CID 76676980

About N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide

N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide (PubChem CID 76676980) has the molecular formula C28H40N2O3Si2 and a molecular weight of 508.81 g/mol. Its IUPAC name is N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
• PubChem CID: 76676980
• Molecular Formula: C28H40N2O3Si2
• Molecular Weight: 508.81 g/mol
• Exact Mass: 508.26
• IUPAC Name: N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
• SMILES: C[Si](C)(CCCNC(=O)C=Cc1ccccc1)O[Si](C)(C)CCCNC(=O)C=Cc1ccccc1
• InChI: InChI=1S/C28H40N2O3Si2/c1-34(2,23-11-21-29-27(31)19-17-25-13-7-5-8-14-25)33-35(3,4)24-12-22-30-28(32)20-18-26-15-9-6-10-16-26/h5-10,13-20H,11-12,21-24H2,1-4H3,(H,29,31)(H,30,32)
• InChIKey: PEORXFIGPQCNDG-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.81
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide?

The IUPAC name of N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide (CID 76676980) is N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide.

What is the SMILES notation for N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide?

The canonical SMILES for N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide is C[Si](C)(CCCNC(=O)C=Cc1ccccc1)O[Si](C)(C)CCCNC(=O)C=Cc1ccccc1.

What is the InChIKey of N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide?

The InChIKey is PEORXFIGPQCNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3Si2/c1-34(2,23-11-21-29-27(31)19-17-25-13-7-5-8-14-25)33-35(3,4)24-12-22-30-28(32)20-18-26-15-9-6-10-16-26/h5-10,13-20H,11-12,21-24H2,1-4H3,(H,29,31)(H,30,32).

What are the key properties of N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide?

N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide has a molecular weight of 508.81 g/mol, XLogP of 5.85, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 76676980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).