(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide

C12H21NO2 — CID 134860994

IUPAC(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCO
InChIInChI=1S/C12H21NO2/c1-11(2)10-13-12(15)8-6-4-3-5-7-9-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,13,15)/b4-3+,8-6+
InChIKeySPZWSEJNFPLXRN-PBOULFJWSA-N
MW211.31 g/mol
LogP1.64
Rot. Bonds7

About (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide

(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide (PubChem CID 134860994) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
PubChem CID134860994
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCO
InChIInChI=1S/C12H21NO2/c1-11(2)10-13-12(15)8-6-4-3-5-7-9-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,13,15)/b4-3+,8-6+
InChIKeySPZWSEJNFPLXRN-PBOULFJWSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide 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

(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide
CID 158854274
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide?
The IUPAC name of (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide (CID 134860994) is (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCO.
What is the InChIKey of (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide?
The InChIKey is SPZWSEJNFPLXRN-PBOULFJWSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)10-13-12(15)8-6-4-3-5-7-9-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,13,15)/b4-3+,8-6+.
What are the key properties of (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide?
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide has a molecular weight of 211.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide is sourced from PubChem (CID 134860994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).