(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide

C26H25NO2 — CID 147247065

IUPAC(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)NC)cc1)c1ccccc1
InChIInChI=1S/C26H25NO2/c1-3-24(20-7-5-4-6-8-20)26(22-14-16-23(28)17-15-22)21-12-9-19(10-13-21)11-18-25(29)27-2/h4-18,28H,3H2,1-2H3,(H,27,29)/b18-11+,26-24+
InChIKeyCLXRFWVYCVDLNP-GLYBPQBISA-N
MW383.49 g/mol
LogP5.52
Rot. Bonds6

About (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide

(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide (PubChem CID 147247065) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide
PubChem CID147247065
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)NC)cc1)c1ccccc1
InChIInChI=1S/C26H25NO2/c1-3-24(20-7-5-4-6-8-20)26(22-14-16-23(28)17-15-22)21-12-9-19(10-13-21)11-18-25(29)27-2/h4-18,28H,3H2,1-2H3,(H,27,29)/b18-11+,26-24+
InChIKeyCLXRFWVYCVDLNP-GLYBPQBISA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide (CID 147247065) is (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide is CC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)NC)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide?
The InChIKey is CLXRFWVYCVDLNP-GLYBPQBISA-N. The full InChI is InChI=1S/C26H25NO2/c1-3-24(20-7-5-4-6-8-20)26(22-14-16-23(28)17-15-22)21-12-9-19(10-13-21)11-18-25(29)27-2/h4-18,28H,3H2,1-2H3,(H,27,29)/b18-11+,26-24+.
What are the key properties of (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide?
(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide has a molecular weight of 383.49 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 147247065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).