(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide

C18H31NO2 — CID 5316694

IUPAC(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+
InChIKeyOMYRBCZBTQDJHF-RFYAXJIXSA-N
MW293.45 g/mol
LogP3.90
Rot. Bonds11

About (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide

(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide (PubChem CID 5316694) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide
PubChem CID5316694
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+
InChIKeyOMYRBCZBTQDJHF-RFYAXJIXSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide (CID 5316694) is (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide is CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O.
What is the InChIKey of (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide?
The InChIKey is OMYRBCZBTQDJHF-RFYAXJIXSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide?
(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide has a molecular weight of 293.45 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide is sourced from PubChem (CID 5316694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).