N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide

C77H115NO4 — CID 12046089

IUPACN-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)[C@H](CCCCCCCCCCCCCC)OCc1ccccc1
InChIInChI=1S/C77H115NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-52-64-75(79)78-73(67-82-77(70-57-45-38-46-58-70,71-59-47-39-48-60-71)72-61-49-40-50-62-72)76(81-66-69-55-43-37-44-56-69)74(80-65-68-53-41-36-42-54-68)63-51-34-32-30-28-16-14-12-10-8-6-4-2/h36-50,53-62,73-74,76H,3-35,51-52,63-67H2,1-2H3,(H,78,79)/t73-,74+,76+/m1/s1
InChIKeyHLHZYUPLEGZJFS-WLKDDWRTSA-N
MW1118.77 g/mol
LogP22.12
Rot. Bonds52

About N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide

N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide (PubChem CID 12046089) has the molecular formula C77H115NO4 and a molecular weight of 1118.77 g/mol. Its IUPAC name is N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide
PubChem CID12046089
Molecular FormulaC77H115NO4
Molecular Weight1118.77 g/mol
Exact Mass1117.88
IUPAC NameN-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)[C@H](CCCCCCCCCCCCCC)OCc1ccccc1
InChIInChI=1S/C77H115NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-52-64-75(79)78-73(67-82-77(70-57-45-38-46-58-70,71-59-47-39-48-60-71)72-61-49-40-50-62-72)76(81-66-69-55-43-37-44-56-69)74(80-65-68-53-41-36-42-54-68)63-51-34-32-30-28-16-14-12-10-8-6-4-2/h36-50,53-62,73-74,76H,3-35,51-52,63-67H2,1-2H3,(H,78,79)/t73-,74+,76+/m1/s1
InChIKeyHLHZYUPLEGZJFS-WLKDDWRTSA-N
XLogP22.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds52
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.77
LogP ≤ 522.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide 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-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
AG-H-08425
CID 11734220
2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
CID 11373377
[(E,2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-1-trityloxyoctadec-4-en-3-yl] benzoate
CID 14826273
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91399124
N-[(2R,3R,4R,5S,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 10896306
N-[(2R,3S,4R,5S,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 70389421
N-[(2S,3R)-3-fluoro-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptadec-4-en-2-yl]hexacosanamide
CID 87208191
N-[(2S,3S,4R)-1-[[(6S,8R,8aR)-7,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)octadecan-2-yl]-11-(2,4-difluorophenyl)undecanamide
CID 88594013
N-[(2S,3S,4R)-1-[[(6S,8R,8aR)-7,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)octadecan-2-yl]-11-(3,4-difluorophenyl)undecanamide
CID 88594038
N-[2-(1,1-difluoropropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 123759978
N-[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-9-[(2,2,2-trifluoroacetyl)amino]nonanamide
CID 137439916

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide?
The IUPAC name of N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide (CID 12046089) is N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide.
What is the SMILES notation for N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide?
The canonical SMILES for N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)[C@H](CCCCCCCCCCCCCC)OCc1ccccc1.
What is the InChIKey of N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide?
The InChIKey is HLHZYUPLEGZJFS-WLKDDWRTSA-N. The full InChI is InChI=1S/C77H115NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-52-64-75(79)78-73(67-82-77(70-57-45-38-46-58-70,71-59-47-39-48-60-71)72-61-49-40-50-62-72)76(81-66-69-55-43-37-44-56-69)74(80-65-68-53-41-36-42-54-68)63-51-34-32-30-28-16-14-12-10-8-6-4-2/h36-50,53-62,73-74,76H,3-35,51-52,63-67H2,1-2H3,(H,78,79)/t73-,74+,76+/m1/s1.
What are the key properties of N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide?
N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide has a molecular weight of 1118.77 g/mol, XLogP of 22.12, 52 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]hexacosanamide is sourced from PubChem (CID 12046089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).