[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate

C114H198N4O10Si2 — CID 158737144

IUPAC[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O.CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COC
InChIInChI=1S/C57H100N2O5Si.C57H98N2O5Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(60)58-51(49-63-65(57(4,5)6,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50-62-7)47-46-52(39-32-27-16-13-10-3)64-56(61)45-38-29-26-23-20-18-15-12-9-2;1-8-11-14-17-19-21-22-24-25-28-37-44-55(61)58-51(49-63-65(57(5,6)7,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50(4)60)47-46-52(39-32-27-16-13-10-3)64-56(62)45-38-29-26-23-20-18-15-12-9-2/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-50H2,1-7H3,(H,58,60);30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61)/t2*51-,52-/m11/s1
InChIKeyILUZMHOAVAJGNX-MUCKFPJOSA-N
MW1841.03 g/mol
LogP28.42
Rot. Bonds82

About [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate

[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate (PubChem CID 158737144) has the molecular formula C114H198N4O10Si2 and a molecular weight of 1841.03 g/mol. Its IUPAC name is [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate.

Molecular Properties

Compound Name[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
PubChem CID158737144
Molecular FormulaC114H198N4O10Si2
Molecular Weight1841.03 g/mol
Exact Mass1839.46
IUPAC Name[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O.CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COC
InChIInChI=1S/C57H100N2O5Si.C57H98N2O5Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(60)58-51(49-63-65(57(4,5)6,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50-62-7)47-46-52(39-32-27-16-13-10-3)64-56(61)45-38-29-26-23-20-18-15-12-9-2;1-8-11-14-17-19-21-22-24-25-28-37-44-55(61)58-51(49-63-65(57(5,6)7,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50(4)60)47-46-52(39-32-27-16-13-10-3)64-56(62)45-38-29-26-23-20-18-15-12-9-2/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-50H2,1-7H3,(H,58,60);30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61)/t2*51-,52-/m11/s1
InChIKeyILUZMHOAVAJGNX-MUCKFPJOSA-N
XLogP28.42
TPSA162.04 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds82
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.03
LogP ≤ 528.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate with MolForge

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Related Compounds

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide
CID 57757067
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 57757096
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate
CID 59055074
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]-1-oxodecan-3-yl] dodecanoate
CID 59055102
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate
CID 59055123
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
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 91530768
[ditert-butyl(phenyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 149574549
[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecylamino)propoxy]decan-3-yl] dodecanoate
CID 157151095
N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
CID 157217319
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]amino]-3-methylbutanoate;tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 157578276
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-hydroxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 157809450

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate?
The IUPAC name of [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate (CID 158737144) is [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate.
What is the SMILES notation for [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate?
The canonical SMILES for [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate is CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O.CCCCCCCCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COC.
What is the InChIKey of [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate?
The InChIKey is ILUZMHOAVAJGNX-MUCKFPJOSA-N. The full InChI is InChI=1S/C57H100N2O5Si.C57H98N2O5Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(60)58-51(49-63-65(57(4,5)6,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50-62-7)47-46-52(39-32-27-16-13-10-3)64-56(61)45-38-29-26-23-20-18-15-12-9-2;1-8-11-14-17-19-21-22-24-25-28-37-44-55(61)58-51(49-63-65(57(5,6)7,53-40-33-30-34-41-53)54-42-35-31-36-43-54)48-59(50(4)60)47-46-52(39-32-27-16-13-10-3)64-56(62)45-38-29-26-23-20-18-15-12-9-2/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-50H2,1-7H3,(H,58,60);30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61)/t2*51-,52-/m11/s1.
What are the key properties of [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate?
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate has a molecular weight of 1841.03 g/mol, XLogP of 28.42, 82 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-(methoxymethyl)amino]decan-3-yl] dodecanoate is sourced from PubChem (CID 158737144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).