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

C18H31NO2 — CID 101153414

IUPAC(2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCC(O)C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)/b9-7+,10-8-,14-11+
InChIKeyAGSDDWKTIRYHSX-UHGNTMHVSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds11

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

(2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (PubChem CID 101153414) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
PubChem CID101153414
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCC(O)C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)/b9-7+,10-8-,14-11+
InChIKeyAGSDDWKTIRYHSX-UHGNTMHVSA-N
XLogP3.76
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 ≤ 53.76
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (CID 101153414) is (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is CCCC(O)C/C=C\CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The InChIKey is AGSDDWKTIRYHSX-UHGNTMHVSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)/b9-7+,10-8-,14-11+.
What are the key properties of (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
(2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide has a molecular weight of 293.45 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is sourced from PubChem (CID 101153414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).