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

C30H55NO4 — CID 138294864

IUPACN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide
SMILESCCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C30H55NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h7,9,15,17,22,24,27-29,32-34H,3-6,8,10-14,16,18-21,23,25-26H2,1-2H3,(H,31,35)/b9-7+,17-15+,24-22+
InChIKeyXDIQRANQGVLNNZ-VSLSXDMHSA-N
MW493.77 g/mol
LogP6.53
Rot. Bonds24

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

N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide (PubChem CID 138294864) has the molecular formula C30H55NO4 and a molecular weight of 493.77 g/mol. Its IUPAC name is N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide.

Molecular Properties

Compound NameN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide
PubChem CID138294864
Molecular FormulaC30H55NO4
Molecular Weight493.77 g/mol
Exact Mass493.41
IUPAC NameN-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide
SMILESCCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC
InChIInChI=1S/C30H55NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h7,9,15,17,22,24,27-29,32-34H,3-6,8,10-14,16,18-21,23,25-26H2,1-2H3,(H,31,35)/b9-7+,17-15+,24-22+
InChIKeyXDIQRANQGVLNNZ-VSLSXDMHSA-N
XLogP6.53
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.77
LogP ≤ 56.53
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-hydroxytetradecanamide 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-hydroxydodecanamide
CID 138226244
N-[(4E,8E)-1,3-dihydroxyheptadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
CID 138260408
N-[(4E,8E,12E)-1,3-dihydroxytetracosa-4,8,12-trien-2-yl]-2-hydroxyoctacosanamide
CID 138186420
N-[(4E,8E)-1,3-dihydroxytetracosa-4,8-dien-2-yl]-2-hydroxytetratriacontanamide
CID 138279090
N-[(4E,8E)-1,3-dihydroxytetracosa-4,8-dien-2-yl]-2-hydroxynonacosanamide
CID 138136886
N-[(4E,8E)-1,3-dihydroxyheptadeca-4,8-dien-2-yl]-2-hydroxynonacosanamide
CID 138168109
N-[(4E,8E)-1,3-dihydroxyhexadeca-4,8-dien-2-yl]-2-hydroxytetracosanamide
CID 138182610
(Z)-N-[(4E,8E,12E)-1,3-dihydroxyoctacosa-4,8,12-trien-2-yl]-2-hydroxytriacont-15-enamide
CID 138293629
N-[(4E,8E,12E)-1,3-dihydroxytriaconta-4,8,12-trien-2-yl]-2-hydroxydodecanamide
CID 138121300
N-[(4E,8E,12E)-1,3-dihydroxynonacosa-4,8,12-trien-2-yl]-2-hydroxyoctacosanamide
CID 138217800
(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

Frequently Asked Questions

What is the IUPAC name of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide?
The IUPAC name of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide (CID 138294864) is N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide.
What is the SMILES notation for N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide?
The canonical SMILES for N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide is CCC/C=C/CC/C=C/CC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC.
What is the InChIKey of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide?
The InChIKey is XDIQRANQGVLNNZ-VSLSXDMHSA-N. The full InChI is InChI=1S/C30H55NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h7,9,15,17,22,24,27-29,32-34H,3-6,8,10-14,16,18-21,23,25-26H2,1-2H3,(H,31,35)/b9-7+,17-15+,24-22+.
What are the key properties of N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide?
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide has a molecular weight of 493.77 g/mol, XLogP of 6.53, 24 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-hydroxytetradecanamide is sourced from PubChem (CID 138294864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).