N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide

C37H75NO4 — CID 138312003

IUPACN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C37H75NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-14-12-10-8-6-4-2/h34-36,39-41H,3-33H2,1-2H3,(H,38,42)
InChIKeyZEPWPVMQCDKXMO-UHFFFAOYSA-N
MW598.01 g/mol
LogP9.93
Rot. Bonds34

About N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide

N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide (PubChem CID 138312003) has the molecular formula C37H75NO4 and a molecular weight of 598.01 g/mol. Its IUPAC name is N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
PubChem CID138312003
Molecular FormulaC37H75NO4
Molecular Weight598.01 g/mol
Exact Mass597.57
IUPAC NameN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C37H75NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-14-12-10-8-6-4-2/h34-36,39-41H,3-33H2,1-2H3,(H,38,42)
InChIKeyZEPWPVMQCDKXMO-UHFFFAOYSA-N
XLogP9.93
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.01
LogP ≤ 59.93
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-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide 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-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxyicosanamide
CID 138147990

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide?
The IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide (CID 138312003) is N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide.
What is the SMILES notation for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide?
The canonical SMILES for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide is CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide?
The InChIKey is ZEPWPVMQCDKXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-14-12-10-8-6-4-2/h34-36,39-41H,3-33H2,1-2H3,(H,38,42).
What are the key properties of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide?
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide has a molecular weight of 598.01 g/mol, XLogP of 9.93, 34 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide is sourced from PubChem (CID 138312003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).