(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide

C15H13NO3 — CID 71559762

IUPAC(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(O)c1)Nc1ccc(O)cc1
InChIInChI=1S/C15H13NO3/c17-13-7-5-12(6-8-13)16-15(19)9-4-11-2-1-3-14(18)10-11/h1-10,17-18H,(H,16,19)/b9-4+
InChIKeyWADSTQPPRBFDRC-RUDMXATFSA-N
MW255.27 g/mol
LogP2.75
Rot. Bonds3

About (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide

(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 71559762) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID71559762
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(O)c1)Nc1ccc(O)cc1
InChIInChI=1S/C15H13NO3/c17-13-7-5-12(6-8-13)16-15(19)9-4-11-2-1-3-14(18)10-11/h1-10,17-18H,(H,16,19)/b9-4+
InChIKeyWADSTQPPRBFDRC-RUDMXATFSA-N
XLogP2.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 71559762) is (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1cccc(O)c1)Nc1ccc(O)cc1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is WADSTQPPRBFDRC-RUDMXATFSA-N. The full InChI is InChI=1S/C15H13NO3/c17-13-7-5-12(6-8-13)16-15(19)9-4-11-2-1-3-14(18)10-11/h1-10,17-18H,(H,16,19)/b9-4+.
What are the key properties of (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
(E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 255.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 71559762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).