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

C16H21NO3 — CID 6449392

IUPAC(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)(O)CNC(=O)/C=C/C=C/C(O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(2,20)12-17-15(19)11-7-6-10-14(18)13-8-4-3-5-9-13/h3-11,14,18,20H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKeyBNZAMEQYBNDOMC-JMQWPVDRSA-N
MW275.35 g/mol
LogP1.72
Rot. Bonds6

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

(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide (PubChem CID 6449392) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
PubChem CID6449392
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)(O)CNC(=O)/C=C/C=C/C(O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(2,20)12-17-15(19)11-7-6-10-14(18)13-8-4-3-5-9-13/h3-11,14,18,20H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+
InChIKeyBNZAMEQYBNDOMC-JMQWPVDRSA-N
XLogP1.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide (CID 6449392) is (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide is CC(C)(O)CNC(=O)/C=C/C=C/C(O)c1ccccc1.
What is the InChIKey of (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The InChIKey is BNZAMEQYBNDOMC-JMQWPVDRSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,20)12-17-15(19)11-7-6-10-14(18)13-8-4-3-5-9-13/h3-11,14,18,20H,12H2,1-2H3,(H,17,19)/b10-6+,11-7+.
What are the key properties of (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
(2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide has a molecular weight of 275.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide is sourced from PubChem (CID 6449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).