(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide

C15H23NO4 — CID 127025457

IUPAC(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
SMILESCC(O)/C=C/C=C/C(=O)C/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C15H23NO4/c1-12(17)7-4-5-8-13(18)9-6-10-14(19)16-11-15(2,3)20/h4-8,10,12,17,20H,9,11H2,1-3H3,(H,16,19)/b7-4+,8-5+,10-6+
InChIKeySYVYFQYWWPNZDM-CFTJBZHISA-N
MW281.35 g/mol
LogP0.88
Rot. Bonds8

About (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide

(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide (PubChem CID 127025457) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
PubChem CID127025457
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
SMILESCC(O)/C=C/C=C/C(=O)C/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C15H23NO4/c1-12(17)7-4-5-8-13(18)9-6-10-14(19)16-11-15(2,3)20/h4-8,10,12,17,20H,9,11H2,1-3H3,(H,16,19)/b7-4+,8-5+,10-6+
InChIKeySYVYFQYWWPNZDM-CFTJBZHISA-N
XLogP0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide?
The IUPAC name of (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide (CID 127025457) is (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide.
What is the SMILES notation for (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide?
The canonical SMILES for (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide is CC(O)/C=C/C=C/C(=O)C/C=C/C(=O)NCC(C)(C)O.
What is the InChIKey of (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide?
The InChIKey is SYVYFQYWWPNZDM-CFTJBZHISA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(17)7-4-5-8-13(18)9-6-10-14(19)16-11-15(2,3)20/h4-8,10,12,17,20H,9,11H2,1-3H3,(H,16,19)/b7-4+,8-5+,10-6+.
What are the key properties of (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide?
(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide has a molecular weight of 281.35 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide is sourced from PubChem (CID 127025457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).