N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide

C46H93NO3 — CID 138166888

IUPACN-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C46H93NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,47,50)
InChIKeyHCOBMJVOCRMGKG-UHFFFAOYSA-N
MW708.25 g/mol
LogP14.47
Rot. Bonds43

About N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide

N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide (PubChem CID 138166888) has the molecular formula C46H93NO3 and a molecular weight of 708.25 g/mol. Its IUPAC name is N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide
PubChem CID138166888
Molecular FormulaC46H93NO3
Molecular Weight708.25 g/mol
Exact Mass707.72
IUPAC NameN-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C46H93NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,47,50)
InChIKeyHCOBMJVOCRMGKG-UHFFFAOYSA-N
XLogP14.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds43
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.25
LogP ≤ 514.47
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-dihydroxytetradecan-2-yl)dotriacontanamide?
The IUPAC name of N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide (CID 138166888) is N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide.
What is the SMILES notation for N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide?
The canonical SMILES for N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide?
The InChIKey is HCOBMJVOCRMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H93NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,47,50).
What are the key properties of N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide?
N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide has a molecular weight of 708.25 g/mol, XLogP of 14.47, 43 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxytetradecan-2-yl)dotriacontanamide is sourced from PubChem (CID 138166888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).