N'-(4-hydroxyphenyl)but-2-enediamide

C10H10N2O3 — CID 54373747

IUPACN'-(4-hydroxyphenyl)but-2-enediamide
SMILESNC(=O)C=CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H10N2O3/c11-9(14)5-6-10(15)12-7-1-3-8(13)4-2-7/h1-6,13H,(H2,11,14)(H,12,15)
InChIKeyUVAWKXYQOQLVFI-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.37
Rot. Bonds3

About N'-(4-hydroxyphenyl)but-2-enediamide

N'-(4-hydroxyphenyl)but-2-enediamide (PubChem CID 54373747) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)but-2-enediamide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)but-2-enediamide
PubChem CID54373747
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN'-(4-hydroxyphenyl)but-2-enediamide
SMILESNC(=O)C=CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H10N2O3/c11-9(14)5-6-10(15)12-7-1-3-8(13)4-2-7/h1-6,13H,(H2,11,14)(H,12,15)
InChIKeyUVAWKXYQOQLVFI-UHFFFAOYSA-N
XLogP0.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.37
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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Related Compounds

(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
CID 67574152
CID 162324012
CID 162324012
N-(4-hydroxyphenyl)-4-oxobut-2-enamide
CID 54364217
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
methyl 4-[(4-amino-4-oxobut-2-enoyl)amino]benzoate
CID 715634
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
(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

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)but-2-enediamide?
The IUPAC name of N'-(4-hydroxyphenyl)but-2-enediamide (CID 54373747) is N'-(4-hydroxyphenyl)but-2-enediamide.
What is the SMILES notation for N'-(4-hydroxyphenyl)but-2-enediamide?
The canonical SMILES for N'-(4-hydroxyphenyl)but-2-enediamide is NC(=O)C=CC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N'-(4-hydroxyphenyl)but-2-enediamide?
The InChIKey is UVAWKXYQOQLVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-9(14)5-6-10(15)12-7-1-3-8(13)4-2-7/h1-6,13H,(H2,11,14)(H,12,15).
What are the key properties of N'-(4-hydroxyphenyl)but-2-enediamide?
N'-(4-hydroxyphenyl)but-2-enediamide has a molecular weight of 206.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)but-2-enediamide is sourced from PubChem (CID 54373747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).