N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide

C43H72N2O4Si — CID 59055104

About N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide (PubChem CID 59055104) has the molecular formula C43H72N2O4Si and a molecular weight of 709.14 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide
• PubChem CID: 59055104
• Molecular Formula: C43H72N2O4Si
• Molecular Weight: 709.14 g/mol
• Exact Mass: 708.53
• IUPAC Name: N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CNC(=O)C[C@H](O)CCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C43H72N2O4Si/c1-6-8-10-12-13-14-15-16-17-19-27-33-41(47)45-37(35-44-42(48)34-38(46)28-22-18-11-9-7-2)36-49-50(43(3,4)5,39-29-23-20-24-30-39)40-31-25-21-26-32-40/h20-21,23-26,29-32,37-38,46H,6-19,22,27-28,33-36H2,1-5H3,(H,44,48)(H,45,47)/t37-,38-/m1/s1
• InChIKey: SESRHQUROWXFSG-XPSQVAKYSA-N
• XLogP: 8.98
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 28
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.14
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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 N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide?

The IUPAC name of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide (CID 59055104) is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide.

What is the SMILES notation for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide?

The canonical SMILES for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@H](CNC(=O)C[C@H](O)CCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide?

The InChIKey is SESRHQUROWXFSG-XPSQVAKYSA-N. The full InChI is InChI=1S/C43H72N2O4Si/c1-6-8-10-12-13-14-15-16-17-19-27-33-41(47)45-37(35-44-42(48)34-38(46)28-22-18-11-9-7-2)36-49-50(43(3,4)5,39-29-23-20-24-30-39)40-31-25-21-26-32-40/h20-21,23-26,29-32,37-38,46H,6-19,22,27-28,33-36H2,1-5H3,(H,44,48)(H,45,47)/t37-,38-/m1/s1.

What are the key properties of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide?

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide has a molecular weight of 709.14 g/mol, XLogP of 8.98, 28 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide is sourced from PubChem (CID 59055104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).