N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide

C42H85NO4 — CID 138250919

IUPACN-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-40(45)39(38-44)43-42(47)41(46)37-35-33-31-29-26-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)
InChIKeyRDOANZLACLCDTB-UHFFFAOYSA-N
MW668.14 g/mol
LogP11.88
Rot. Bonds39

About N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide

N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide (PubChem CID 138250919) has the molecular formula C42H85NO4 and a molecular weight of 668.14 g/mol. Its IUPAC name is N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide
PubChem CID138250919
Molecular FormulaC42H85NO4
Molecular Weight668.14 g/mol
Exact Mass667.65
IUPAC NameN-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-40(45)39(38-44)43-42(47)41(46)37-35-33-31-29-26-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)
InChIKeyRDOANZLACLCDTB-UHFFFAOYSA-N
XLogP11.88
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds39
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.14
LogP ≤ 511.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide 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-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
CID 138124268
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyoctatriacontanamide
CID 138236672
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-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide?
The IUPAC name of N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide (CID 138250919) is N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide.
What is the SMILES notation for N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide?
The canonical SMILES for N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide is CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide?
The InChIKey is RDOANZLACLCDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-40(45)39(38-44)43-42(47)41(46)37-35-33-31-29-26-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47).
What are the key properties of N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide?
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide has a molecular weight of 668.14 g/mol, XLogP of 11.88, 39 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide is sourced from PubChem (CID 138250919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).