N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide

C32H65NO4 — CID 138132813

IUPACN-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCC
InChIInChI=1S/C32H65NO4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(36)30(28-34)33-32(37)27-29(35)25-23-21-19-10-8-6-4-2/h29-31,34-36H,3-28H2,1-2H3,(H,33,37)
InChIKeyCAYFOGZOPWLUCB-UHFFFAOYSA-N
MW527.88 g/mol
LogP7.98
Rot. Bonds29

About N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide

N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide (PubChem CID 138132813) has the molecular formula C32H65NO4 and a molecular weight of 527.88 g/mol. Its IUPAC name is N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide
PubChem CID138132813
Molecular FormulaC32H65NO4
Molecular Weight527.88 g/mol
Exact Mass527.49
IUPAC NameN-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCC
InChIInChI=1S/C32H65NO4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(36)30(28-34)33-32(37)27-29(35)25-23-21-19-10-8-6-4-2/h29-31,34-36H,3-28H2,1-2H3,(H,33,37)
InChIKeyCAYFOGZOPWLUCB-UHFFFAOYSA-N
XLogP7.98
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 57.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide
CID 22974276
N-(1,3-dihydroxytriacontan-2-yl)-3-hydroxytetratriacontanamide
CID 138172500
N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
CID 138131221
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxydocosanamide
CID 138280375
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyheptacosanamide
CID 138122389
N-(1,3-dihydroxyhexadecan-2-yl)-3-hydroxyoctacosanamide
CID 138245888
N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
CID 138273723
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxytriacontanamide
CID 138303434
N-(1,3-dihydroxyhenicosan-2-yl)-3-hydroxyhexacosanamide
CID 138217183
N-(1,3-dihydroxyheptacosan-2-yl)-3-hydroxyhexatriacontanamide
CID 138141130
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxytriacontanamide
CID 138125815
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyoctadecanamide
CID 138227500

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide?
The IUPAC name of N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide (CID 138132813) is N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide.
What is the SMILES notation for N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide?
The canonical SMILES for N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide is CCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide?
The InChIKey is CAYFOGZOPWLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(36)30(28-34)33-32(37)27-29(35)25-23-21-19-10-8-6-4-2/h29-31,34-36H,3-28H2,1-2H3,(H,33,37).
What are the key properties of N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide?
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide has a molecular weight of 527.88 g/mol, XLogP of 7.98, 29 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide is sourced from PubChem (CID 138132813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).