[(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

C113H196N4O9Si2 — CID 91530768

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]-methylamino]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCCCC(=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(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O
InChIInChI=1S/C57H98N2O5Si.C56H98N2O4Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(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;1-8-11-14-17-19-21-22-24-25-28-37-44-54(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/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61);30-31,33-36,40-43,50-51H,8-29,32,37-39,44-49H2,1-7H3,(H,57,59)/t51-,52-;50-,51-/m11/s1
InChIKeyIGMASNYISGMEMO-RDPDDAAXSA-N
MW1811.00 g/mol
LogP28.44
Rot. Bonds80

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]-methylamino]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]-methylamino]decan-3-yl] dodecanoate (PubChem CID 91530768) has the molecular formula C113H196N4O9Si2 and a molecular weight of 1811.00 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]-methylamino]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]-methylamino]decan-3-yl] dodecanoate
PubChem CID91530768
Molecular FormulaC113H196N4O9Si2
Molecular Weight1811.00 g/mol
Exact Mass1809.45
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]-methylamino]decan-3-yl] dodecanoate
SMILESCCCCCCCCCCCCCC(=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(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O
InChIInChI=1S/C57H98N2O5Si.C56H98N2O4Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(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;1-8-11-14-17-19-21-22-24-25-28-37-44-54(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/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61);30-31,33-36,40-43,50-51H,8-29,32,37-39,44-49H2,1-7H3,(H,57,59)/t51-,52-;50-,51-/m11/s1
InChIKeyIGMASNYISGMEMO-RDPDDAAXSA-N
XLogP28.44
TPSA152.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds80
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001811.00
LogP ≤ 528.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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]-methylamino]decan-3-yl] dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[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
(5Z,14Z,19S)-19-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dimethyl (2S)-2-[[(5Z,14Z,19S)-19-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoyl]amino]butanedioate
CID 157840739

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]-methylamino]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]-methylamino]decan-3-yl] dodecanoate (CID 91530768) 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]-methylamino]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]-methylamino]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]-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(CC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)C(C)=O.
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]-methylamino]decan-3-yl] dodecanoate?
The InChIKey is IGMASNYISGMEMO-RDPDDAAXSA-N. The full InChI is InChI=1S/C57H98N2O5Si.C56H98N2O4Si/c1-8-11-14-17-19-21-22-24-25-28-37-44-55(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;1-8-11-14-17-19-21-22-24-25-28-37-44-54(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/h30-31,33-36,40-43,51-52H,8-29,32,37-39,44-49H2,1-7H3,(H,58,61);30-31,33-36,40-43,50-51H,8-29,32,37-39,44-49H2,1-7H3,(H,57,59)/t51-,52-;50-,51-/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]-methylamino]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]-methylamino]decan-3-yl] dodecanoate has a molecular weight of 1811.00 g/mol, XLogP of 28.44, 80 rotatable bonds, 2 hydrogen bond donors, and 10 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]-methylamino]decan-3-yl] dodecanoate is sourced from PubChem (CID 91530768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).