(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

C18H29NO2 — CID 5318234

IUPAC(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)NC(O)C(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
InChIKeyBUOFMLFXULBHJK-NPNWTSAVSA-N
MW291.44 g/mol
LogP3.88
Rot. Bonds10

About (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (PubChem CID 5318234) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
PubChem CID5318234
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)NC(O)C(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
InChIKeyBUOFMLFXULBHJK-NPNWTSAVSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide 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,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The IUPAC name of (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (CID 5318234) is (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.
What is the SMILES notation for (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The canonical SMILES for (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NC(O)C(C)C.
What is the InChIKey of (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The InChIKey is BUOFMLFXULBHJK-NPNWTSAVSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide has a molecular weight of 291.44 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is sourced from PubChem (CID 5318234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).