(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide

C17H16N2O2 — CID 135427204

IUPAC(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
SMILESC/C(O)=C(\C=N\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)16(12-18-14-8-4-2-5-9-14)17(21)19-15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/b16-13-,18-12+
InChIKeyPNJRMVZBPMPDAW-LVQLHOOYSA-N
MW280.33 g/mol
LogP3.86
Rot. Bonds4

About (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide

(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide (PubChem CID 135427204) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
PubChem CID135427204
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
SMILESC/C(O)=C(\C=N\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)16(12-18-14-8-4-2-5-9-14)17(21)19-15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/b16-13-,18-12+
InChIKeyPNJRMVZBPMPDAW-LVQLHOOYSA-N
XLogP3.86
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-3-hydroxy-N-phenylbut-2-enamide
CID 135522887
(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide
CID 137182367
3-hydroxy-N-phenyl-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]but-2-enamide
CID 135498427
(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
CID 137099058
[4-[[(Z)-2-acetyl-3-hydroxybut-2-enylidene]amino]phenyl]-phenyliodanium
CID 136666146
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
(Z)-3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]but-2-enamide
CID 135909652
(Z)-3-[(4-chlorophenyl)iminomethyl]-4-hydroxypent-3-en-2-one
CID 135482711
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
(E)-3-anilinobut-2-enoic acid
CID 89350388
cobalt;N-phenylacetamide
CID 158689050
1-anilino-3-phenyliminopropan-2-one
CID 91514500

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide?
The IUPAC name of (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide (CID 135427204) is (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide is C/C(O)=C(\C=N\c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide?
The InChIKey is PNJRMVZBPMPDAW-LVQLHOOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)16(12-18-14-8-4-2-5-9-14)17(21)19-15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/b16-13-,18-12+.
What are the key properties of (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide?
(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide is sourced from PubChem (CID 135427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).