3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide

C16H15N3O3 — CID 157218994

IUPAC3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1ccc(O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O3/c1-11(20)15(16(22)17-12-5-3-2-4-6-12)19-18-13-7-9-14(21)10-8-13/h2-10,20-21H,1H3,(H,17,22)/b15-11?,19-18+
InChIKeyPCKYOWXSYGQPGT-DCKMHALMSA-N
MW297.31 g/mol
LogP3.90
Rot. Bonds4

About 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide

3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide (PubChem CID 157218994) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Name3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
PubChem CID157218994
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1ccc(O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O3/c1-11(20)15(16(22)17-12-5-3-2-4-6-12)19-18-13-7-9-14(21)10-8-13/h2-10,20-21H,1H3,(H,17,22)/b15-11?,19-18+
InChIKeyPCKYOWXSYGQPGT-DCKMHALMSA-N
XLogP3.90
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 177442987
(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 135941732
(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
CID 137144324
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
(E)-3-hydroxy-N-(2-methylphenyl)-2-[(4-nitrophenyl)diazenyl]but-2-enamide
CID 139063434
(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 137179746
ethyl 4-[[1-[(1-aminopyridin-1-ium-3-yl)amino]-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]benzoate
CID 136864612
(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
CID 135429771
sodium 2-[4-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
CID 135735859
diethyl 5-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-3-methylthiophene-2,4-dicarboxylate
CID 135461351
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide?
The IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide (CID 157218994) is 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide.
What is the SMILES notation for 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide?
The canonical SMILES for 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide is CC(O)=C(/N=N/c1ccc(O)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide?
The InChIKey is PCKYOWXSYGQPGT-DCKMHALMSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(20)15(16(22)17-12-5-3-2-4-6-12)19-18-13-7-9-14(21)10-8-13/h2-10,20-21H,1H3,(H,17,22)/b15-11?,19-18+.
What are the key properties of 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide?
3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 157218994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).