(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide

C16H21NO2 — CID 6449391

IUPAC(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/C(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-13(2)12-17-16(19)11-7-6-10-15(18)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKeyLRYQWBJGGNAUEF-JMQWPVDRSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds6

About (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide

(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide (PubChem CID 6449391) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
PubChem CID6449391
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/C(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-13(2)12-17-16(19)11-7-6-10-15(18)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKeyLRYQWBJGGNAUEF-JMQWPVDRSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide (CID 6449391) is (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/C(O)c1ccccc1.
What is the InChIKey of (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The InChIKey is LRYQWBJGGNAUEF-JMQWPVDRSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(2)12-17-16(19)11-7-6-10-15(18)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+.
What are the key properties of (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
(2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide has a molecular weight of 259.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-hydroxy-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide is sourced from PubChem (CID 6449391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).