N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate

C100H174N4O7Si2 — CID 91098778

About N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate (PubChem CID 91098778) has the molecular formula C100H174N4O7Si2 and a molecular weight of 1600.69 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate.

Molecular Properties

• Compound Name: N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
• PubChem CID: 91098778
• Molecular Formula: C100H174N4O7Si2
• Molecular Weight: 1600.69 g/mol
• Exact Mass: 1599.29
• IUPAC Name: N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
• SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(C)CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(C)CC[C@H](O)CCCCCCC
• InChI: InChI=1S/C56H98N2O4Si.C44H76N2O3Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-54(59)57-50(49-61-63(56(4,5)6,52-40-33-30-34-41-52)53-42-35-31-36-43-53)48-58(7)47-46-51(39-32-27-16-13-10-3)62-55(60)45-38-29-26-23-20-18-15-12-9-2;1-7-9-11-13-14-15-16-17-18-20-28-34-43(48)45-39(37-46(6)36-35-40(47)29-23-19-12-10-8-2)38-49-50(44(3,4)5,41-30-24-21-25-31-41)42-32-26-22-27-33-42/h30-31,33-36,40-43,50-51H,8-29,32,37-39,44-49H2,1-7H3,(H,57,59);21-22,24-27,30-33,39-40,47H,7-20,23,28-29,34-38H2,1-6H3,(H,45,48)/t50-,51-;39-,40-/m11/s1
• InChIKey: NXMRWCJQVITVQT-AKYDIZGSSA-N
• XLogP: 24.06
• TPSA: 129.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 69
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1600.69
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate?

The IUPAC name of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate (CID 91098778) is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate.

What is the SMILES notation for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate?

The canonical SMILES for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate is CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(C)CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(C)CC[C@H](O)CCCCCCC.

What is the InChIKey of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate?

The InChIKey is NXMRWCJQVITVQT-AKYDIZGSSA-N. The full InChI is InChI=1S/C56H98N2O4Si.C44H76N2O3Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-54(59)57-50(49-61-63(56(4,5)6,52-40-33-30-34-41-52)53-42-35-31-36-43-53)48-58(7)47-46-51(39-32-27-16-13-10-3)62-55(60)45-38-29-26-23-20-18-15-12-9-2;1-7-9-11-13-14-15-16-17-18-20-28-34-43(48)45-39(37-46(6)36-35-40(47)29-23-19-12-10-8-2)38-49-50(44(3,4)5,41-30-24-21-25-31-41)42-32-26-22-27-33-42/h30-31,33-36,40-43,50-51H,8-29,32,37-39,44-49H2,1-7H3,(H,57,59);21-22,24-27,30-33,39-40,47H,7-20,23,28-29,34-38H2,1-6H3,(H,45,48)/t50-,51-;39-,40-/m11/s1.

What are the key properties of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate?

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate has a molecular weight of 1600.69 g/mol, XLogP of 24.06, 69 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate is sourced from PubChem (CID 91098778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).