(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide

C17H15NO4 — CID 177376060

IUPAC(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C17H15NO4/c18-17(22)6-4-13-9-14(19)5-3-12(13)2-1-11-7-15(20)10-16(21)8-11/h1-10,19-21H,(H2,18,22)/b2-1+,6-4+
InChIKeyPLODZAUEAYITNE-ZMVSMXTFSA-N
MW297.31 g/mol
LogP2.47
Rot. Bonds4

About (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide

(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide (PubChem CID 177376060) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide
PubChem CID177376060
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C17H15NO4/c18-17(22)6-4-13-9-14(19)5-3-12(13)2-1-11-7-15(20)10-16(21)8-11/h1-10,19-21H,(H2,18,22)/b2-1+,6-4+
InChIKeyPLODZAUEAYITNE-ZMVSMXTFSA-N
XLogP2.47
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide (CID 177376060) is (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide is NC(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1.
What is the InChIKey of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide?
The InChIKey is PLODZAUEAYITNE-ZMVSMXTFSA-N. The full InChI is InChI=1S/C17H15NO4/c18-17(22)6-4-13-9-14(19)5-3-12(13)2-1-11-7-15(20)10-16(21)8-11/h1-10,19-21H,(H2,18,22)/b2-1+,6-4+.
What are the key properties of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide?
(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]prop-2-enamide is sourced from PubChem (CID 177376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).