(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide

C16H14N2O4 — CID 5356642

IUPAC(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c19-13-5-1-11(2-6-13)17-15(21)9-10-16(22)18-12-3-7-14(20)8-4-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-9+
InChIKeyWXOYACGTOHRQCZ-MDZDMXLPSA-N
MW298.30 g/mol
LogP2.23
Rot. Bonds4

About (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide

(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide (PubChem CID 5356642) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
PubChem CID5356642
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c19-13-5-1-11(2-6-13)17-15(21)9-10-16(22)18-12-3-7-14(20)8-4-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-9+
InChIKeyWXOYACGTOHRQCZ-MDZDMXLPSA-N
XLogP2.23
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxyphenyl)but-2-enediamide
CID 54373747
cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
CID 67574152
N-(4-hydroxyphenyl)-4-oxobut-2-enamide
CID 54364217
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(2E,4E)-5-(4-hydroxyphenyl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 10492944
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
CID 59006143
CID 59006143

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide?
The IUPAC name of (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide (CID 5356642) is (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide is O=C(/C=C/C(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1.
What is the InChIKey of (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide?
The InChIKey is WXOYACGTOHRQCZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13-5-1-11(2-6-13)17-15(21)9-10-16(22)18-12-3-7-14(20)8-4-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-9+.
What are the key properties of (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide?
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide has a molecular weight of 298.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide is sourced from PubChem (CID 5356642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).