2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide

C33H67NO3 — CID 58241414

IUPAC2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
SMILESCCCCCCCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C33H67NO3/c1-4-7-9-11-13-15-17-18-19-21-22-24-26-28-31(35)30(6-3)34-33(37)32(36)29-27-25-23-20-16-14-12-10-8-5-2/h30-32,35-36H,4-29H2,1-3H3,(H,34,37)
InChIKeyHOJYFQRSVURFNJ-UHFFFAOYSA-N
MW525.90 g/mol
LogP9.40
Rot. Bonds29

About 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide

2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide (PubChem CID 58241414) has the molecular formula C33H67NO3 and a molecular weight of 525.90 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
PubChem CID58241414
Molecular FormulaC33H67NO3
Molecular Weight525.90 g/mol
Exact Mass525.51
IUPAC Name2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
SMILESCCCCCCCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C33H67NO3/c1-4-7-9-11-13-15-17-18-19-21-22-24-26-28-31(35)30(6-3)34-33(37)32(36)29-27-25-23-20-16-14-12-10-8-5-2/h30-32,35-36H,4-29H2,1-3H3,(H,34,37)
InChIKeyHOJYFQRSVURFNJ-UHFFFAOYSA-N
XLogP9.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.90
LogP ≤ 59.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide 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

2-hydroxy-N-(4-hydroxy-14-methylhenicosan-3-yl)hexadecanamide
CID 143093241
2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712407
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234
N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
CID 138167755
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyheptacosanamide
CID 138189483
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxydotetracontanamide
CID 138251603
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxynonacosanamide
CID 138191913
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
CID 138124268
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyoctatriacontanamide
CID 138236672
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyhexacosanamide
CID 138226056

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide (CID 58241414) is 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide is CCCCCCCCCCCCCCCC(O)C(CC)NC(=O)C(O)CCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide?
The InChIKey is HOJYFQRSVURFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67NO3/c1-4-7-9-11-13-15-17-18-19-21-22-24-26-28-31(35)30(6-3)34-33(37)32(36)29-27-25-23-20-16-14-12-10-8-5-2/h30-32,35-36H,4-29H2,1-3H3,(H,34,37).
What are the key properties of 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide?
2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide has a molecular weight of 525.90 g/mol, XLogP of 9.40, 29 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide is sourced from PubChem (CID 58241414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).