N-(1,3-dihydroxytetracosan-2-yl)triacontanamide

C54H109NO3 — CID 138179750

IUPACN-(1,3-dihydroxytetracosan-2-yl)triacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H109NO3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-54(58)55-52(51-56)53(57)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h52-53,56-57H,3-51H2,1-2H3,(H,55,58)
InChIKeyIQJZCTJFPZHIDS-UHFFFAOYSA-N
MW820.47 g/mol
LogP17.59
Rot. Bonds51

About N-(1,3-dihydroxytetracosan-2-yl)triacontanamide

N-(1,3-dihydroxytetracosan-2-yl)triacontanamide (PubChem CID 138179750) has the molecular formula C54H109NO3 and a molecular weight of 820.47 g/mol. Its IUPAC name is N-(1,3-dihydroxytetracosan-2-yl)triacontanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxytetracosan-2-yl)triacontanamide
PubChem CID138179750
Molecular FormulaC54H109NO3
Molecular Weight820.47 g/mol
Exact Mass819.84
IUPAC NameN-(1,3-dihydroxytetracosan-2-yl)triacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H109NO3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-54(58)55-52(51-56)53(57)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h52-53,56-57H,3-51H2,1-2H3,(H,55,58)
InChIKeyIQJZCTJFPZHIDS-UHFFFAOYSA-N
XLogP17.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.47
LogP ≤ 517.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxynonadecan-2-yl)triacontanamide
CID 138226713
N-[(2S,3R)-1,3-dihydroxyhenicosan-2-yl]octadecanamide
CID 134766399
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385
N-(1,3-dihydroxytetradecan-2-yl)hentriacontanamide
CID 138137610
N-(1,3-dihydroxyoctacosan-2-yl)hexadecanamide
CID 138148821

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxytetracosan-2-yl)triacontanamide?
The IUPAC name of N-(1,3-dihydroxytetracosan-2-yl)triacontanamide (CID 138179750) is N-(1,3-dihydroxytetracosan-2-yl)triacontanamide.
What is the SMILES notation for N-(1,3-dihydroxytetracosan-2-yl)triacontanamide?
The canonical SMILES for N-(1,3-dihydroxytetracosan-2-yl)triacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxytetracosan-2-yl)triacontanamide?
The InChIKey is IQJZCTJFPZHIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H109NO3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-54(58)55-52(51-56)53(57)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h52-53,56-57H,3-51H2,1-2H3,(H,55,58).
What are the key properties of N-(1,3-dihydroxytetracosan-2-yl)triacontanamide?
N-(1,3-dihydroxytetracosan-2-yl)triacontanamide has a molecular weight of 820.47 g/mol, XLogP of 17.59, 51 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxytetracosan-2-yl)triacontanamide is sourced from PubChem (CID 138179750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).