N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide

C28H51NO4 — CID 138226244

IUPACN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide
SMILESCCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCC
InChIInChI=1S/C28H51NO4/c1-3-5-7-9-11-13-14-15-17-18-20-22-26(31)25(24-30)29-28(33)27(32)23-21-19-16-12-10-8-6-4-2/h7,9,14-15,20,22,25-27,30-32H,3-6,8,10-13,16-19,21,23-24H2,1-2H3,(H,29,33)/b9-7+,15-14+,22-20+
InChIKeyOEYROOUCQULYDP-HOUQVWBMSA-N
MW465.72 g/mol
LogP5.75
Rot. Bonds22

About N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide

N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide (PubChem CID 138226244) has the molecular formula C28H51NO4 and a molecular weight of 465.72 g/mol. Its IUPAC name is N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide.

Molecular Properties

Compound NameN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide
PubChem CID138226244
Molecular FormulaC28H51NO4
Molecular Weight465.72 g/mol
Exact Mass465.38
IUPAC NameN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide
SMILESCCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCC
InChIInChI=1S/C28H51NO4/c1-3-5-7-9-11-13-14-15-17-18-20-22-26(31)25(24-30)29-28(33)27(32)23-21-19-16-12-10-8-6-4-2/h7,9,14-15,20,22,25-27,30-32H,3-6,8,10-13,16-19,21,23-24H2,1-2H3,(H,29,33)/b9-7+,15-14+,22-20+
InChIKeyOEYROOUCQULYDP-HOUQVWBMSA-N
XLogP5.75
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.72
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide 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-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide
CID 138294864
(Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]-2-hydroxypentacos-11-enamide
CID 138186513
(Z)-N-[(4E,8E)-1,3-dihydroxynonacosa-4,8-dien-2-yl]-2-hydroxydotetracont-21-enamide
CID 138234759
N-[(4E,8E)-1,3-dihydroxytricosa-4,8-dien-2-yl]-2-hydroxynonacosanamide
CID 138171591
(Z)-N-[(4E,8E)-1,3-dihydroxytetracosa-4,8-dien-2-yl]-2-hydroxytriacont-15-enamide
CID 138223483
N-[(4E,8E)-1,3-dihydroxypentacosa-4,8-dien-2-yl]-2-hydroxytriacontanamide
CID 138225279
(Z)-N-[(4E,8E)-1,3-dihydroxyhexacosa-4,8-dien-2-yl]-2-hydroxytricos-11-enamide
CID 138144588
N-[(4E,8E)-1,3-dihydroxypentadeca-4,8-dien-2-yl]-2-hydroxytridecanamide
CID 138151950
N-[(4E,8E)-1,3-dihydroxyheptacosa-4,8-dien-2-yl]-2-hydroxytetradecanamide
CID 138280878
N-[(4E,8E,12E)-1,3-dihydroxyicosa-4,8,12-trien-2-yl]-2-hydroxyhexadecanamide
CID 138268708
(Z)-N-[(4E,8E)-1,3-dihydroxytriaconta-4,8-dien-2-yl]-2-hydroxydocos-11-enamide
CID 138151787
N-[(4E,8E)-1,3-dihydroxytetracosa-4,8-dien-2-yl]-2-hydroxytricosanamide
CID 138191293

Frequently Asked Questions

What is the IUPAC name of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide?
The IUPAC name of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide (CID 138226244) is N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide.
What is the SMILES notation for N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide?
The canonical SMILES for N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide is CCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCC.
What is the InChIKey of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide?
The InChIKey is OEYROOUCQULYDP-HOUQVWBMSA-N. The full InChI is InChI=1S/C28H51NO4/c1-3-5-7-9-11-13-14-15-17-18-20-22-26(31)25(24-30)29-28(33)27(32)23-21-19-16-12-10-8-6-4-2/h7,9,14-15,20,22,25-27,30-32H,3-6,8,10-13,16-19,21,23-24H2,1-2H3,(H,29,33)/b9-7+,15-14+,22-20+.
What are the key properties of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide?
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide has a molecular weight of 465.72 g/mol, XLogP of 5.75, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide is sourced from PubChem (CID 138226244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).