N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide

C27H41NO2 — CID 57260775

IUPACN-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)Nc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C27H41NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-25-21-22(2)27(30)24(4)23(25)3/h9-10,12-13,15-16,21,30H,5-8,11,14,17-20H2,1-4H3,(H,28,29)
InChIKeyHULBDFVCYAOCMW-UHFFFAOYSA-N
MW411.63 g/mol
LogP7.85
Rot. Bonds14

About N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide

N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide (PubChem CID 57260775) has the molecular formula C27H41NO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
PubChem CID57260775
Molecular FormulaC27H41NO2
Molecular Weight411.63 g/mol
Exact Mass411.31
IUPAC NameN-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)Nc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C27H41NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-25-21-22(2)27(30)24(4)23(25)3/h9-10,12-13,15-16,21,30H,5-8,11,14,17-20H2,1-4H3,(H,28,29)
InChIKeyHULBDFVCYAOCMW-UHFFFAOYSA-N
XLogP7.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide 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-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
CID 54249873
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
5-chloro-2-[[(Z)-docos-13-enoyl]amino]benzoic acid
CID 70363049
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
CID 140590497
(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide?
The IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide (CID 57260775) is N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide.
What is the SMILES notation for N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide?
The canonical SMILES for N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide is CCCCCC=CCC=CCC=CCCCCC(=O)Nc1cc(C)c(O)c(C)c1C.
What is the InChIKey of N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide?
The InChIKey is HULBDFVCYAOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-25-21-22(2)27(30)24(4)23(25)3/h9-10,12-13,15-16,21,30H,5-8,11,14,17-20H2,1-4H3,(H,28,29).
What are the key properties of N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide?
N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide has a molecular weight of 411.63 g/mol, XLogP of 7.85, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide is sourced from PubChem (CID 57260775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).