N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide

C59H95NO3 — CID 10876654

IUPACN-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCCCOC(CNC(=O)CCCCCCCCCCCCCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H95NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-43-51-62-57(52-60-58(61)50-42-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)53-63-59(54-44-36-33-37-45-54,55-46-38-34-39-47-55)56-48-40-35-41-49-56/h33-41,44-49,57H,3-32,42-43,50-53H2,1-2H3,(H,60,61)
InChIKeyWKTPGGQPTTWZPQ-UHFFFAOYSA-N
MW866.41 g/mol
LogP17.41
Rot. Bonds43

About N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide

N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide (PubChem CID 10876654) has the molecular formula C59H95NO3 and a molecular weight of 866.41 g/mol. Its IUPAC name is N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide.

Molecular Properties

Compound NameN-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
PubChem CID10876654
Molecular FormulaC59H95NO3
Molecular Weight866.41 g/mol
Exact Mass865.73
IUPAC NameN-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCCCOC(CNC(=O)CCCCCCCCCCCCCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H95NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-43-51-62-57(52-60-58(61)50-42-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)53-63-59(54-44-36-33-37-45-54,55-46-38-34-39-47-55)56-48-40-35-41-49-56/h33-41,44-49,57H,3-32,42-43,50-53H2,1-2H3,(H,60,61)
InChIKeyWKTPGGQPTTWZPQ-UHFFFAOYSA-N
XLogP17.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds43
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.41
LogP ≤ 517.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide 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-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112
N-(2-heptoxy-3-trityloxypropyl)dodecanamide
CID 11734758
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
9-[(2S)-3-hydroxy-1-trityloxynonadecan-2-yl]oxynonanoic acid
CID 69043756
[(2S)-2-hexadecanoyloxy-3-trityloxypropyl] hexadecanoate
CID 10819187
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
ethyl 5-bromopentanoate;ethyl 5-(1-hexadecoxy-3-trityloxypropan-2-yl)oxypentanoate;1-hexadecoxy-3-trityloxypropan-2-ol
CID 162210371

Frequently Asked Questions

What is the IUPAC name of N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide?
The IUPAC name of N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide (CID 10876654) is N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide.
What is the SMILES notation for N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide?
The canonical SMILES for N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide is CCCCCCCCCCCCCCCCCCCOC(CNC(=O)CCCCCCCCCCCCCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide?
The InChIKey is WKTPGGQPTTWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H95NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-43-51-62-57(52-60-58(61)50-42-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)53-63-59(54-44-36-33-37-45-54,55-46-38-34-39-47-55)56-48-40-35-41-49-56/h33-41,44-49,57H,3-32,42-43,50-53H2,1-2H3,(H,60,61).
What are the key properties of N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide?
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide has a molecular weight of 866.41 g/mol, XLogP of 17.41, 43 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide is sourced from PubChem (CID 10876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).