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

C40H57NO3 — CID 11028380

IUPACN-(2-hydroxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H57NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-39(43)41-33-38(42)34-44-40(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,38,42H,2-15,25,32-34H2,1H3,(H,41,43)
InChIKeyHLYNLNCVBZRNSQ-UHFFFAOYSA-N
MW599.90 g/mol
LogP9.73
Rot. Bonds24

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

N-(2-hydroxy-3-trityloxypropyl)octadecanamide (PubChem CID 11028380) has the molecular formula C40H57NO3 and a molecular weight of 599.90 g/mol. Its IUPAC name is N-(2-hydroxy-3-trityloxypropyl)octadecanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-trityloxypropyl)octadecanamide
PubChem CID11028380
Molecular FormulaC40H57NO3
Molecular Weight599.90 g/mol
Exact Mass599.43
IUPAC NameN-(2-hydroxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H57NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-39(43)41-33-38(42)34-44-40(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,38,42H,2-15,25,32-34H2,1H3,(H,41,43)
InChIKeyHLYNLNCVBZRNSQ-UHFFFAOYSA-N
XLogP9.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.90
LogP ≤ 59.73
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-trityloxypropyl)octadecanamide?
The IUPAC name of N-(2-hydroxy-3-trityloxypropyl)octadecanamide (CID 11028380) is N-(2-hydroxy-3-trityloxypropyl)octadecanamide.
What is the SMILES notation for N-(2-hydroxy-3-trityloxypropyl)octadecanamide?
The canonical SMILES for N-(2-hydroxy-3-trityloxypropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-trityloxypropyl)octadecanamide?
The InChIKey is HLYNLNCVBZRNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H57NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-39(43)41-33-38(42)34-44-40(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,38,42H,2-15,25,32-34H2,1H3,(H,41,43).
What are the key properties of N-(2-hydroxy-3-trityloxypropyl)octadecanamide?
N-(2-hydroxy-3-trityloxypropyl)octadecanamide has a molecular weight of 599.90 g/mol, XLogP of 9.73, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-trityloxypropyl)octadecanamide is sourced from PubChem (CID 11028380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).