4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol

C62H56N4O6 — CID 159984373

IUPAC4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
SMILESC=C(C)c1ccc(/C=N/c2ccccc2O)cc1.C=C(C)c1ccc(C(=O)Nc2ccccc2O)cc1.C=Cc1ccc(/C=N/c2ccccc2O)cc1.C=Cc1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H15NO2.C16H15NO.C15H13NO2.C15H13NO/c1-11(2)12-7-9-13(10-8-12)16(19)17-14-5-3-4-6-15(14)18;1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18;1-2-11-7-9-12(10-8-11)15(18)16-13-5-3-4-6-14(13)17;1-2-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17/h3-10,18H,1H2,2H3,(H,17,19);3-11,18H,1H2,2H3;2-10,17H,1H2,(H,16,18);2-11,17H,1H2/b;17-11+;;16-11+
InChIKeyOGDKXGVTWSVBTB-GTXJCILBSA-N
MW953.15 g/mol
LogP14.93
Rot. Bonds12

About 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol

4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol (PubChem CID 159984373) has the molecular formula C62H56N4O6 and a molecular weight of 953.15 g/mol. Its IUPAC name is 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
PubChem CID159984373
Molecular FormulaC62H56N4O6
Molecular Weight953.15 g/mol
Exact Mass952.42
IUPAC Name4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
SMILESC=C(C)c1ccc(/C=N/c2ccccc2O)cc1.C=C(C)c1ccc(C(=O)Nc2ccccc2O)cc1.C=Cc1ccc(/C=N/c2ccccc2O)cc1.C=Cc1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H15NO2.C16H15NO.C15H13NO2.C15H13NO/c1-11(2)12-7-9-13(10-8-12)16(19)17-14-5-3-4-6-15(14)18;1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18;1-2-11-7-9-12(10-8-11)15(18)16-13-5-3-4-6-14(13)17;1-2-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17/h3-10,18H,1H2,2H3,(H,17,19);3-11,18H,1H2,2H3;2-10,17H,1H2,(H,16,18);2-11,17H,1H2/b;17-11+;;16-11+
InChIKeyOGDKXGVTWSVBTB-GTXJCILBSA-N
XLogP14.93
TPSA163.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.15
LogP ≤ 514.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol with MolForge

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Related Compounds

4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
CID 159732993
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
4-ethenyl-N-(6-methylquinolin-8-yl)benzamide
CID 166188800
3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 59042085
N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
CID 102139348
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
CID 46887334
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
CID 19366189
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?
The IUPAC name of 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol (CID 159984373) is 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol.
What is the SMILES notation for 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?
The canonical SMILES for 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol is C=C(C)c1ccc(/C=N/c2ccccc2O)cc1.C=C(C)c1ccc(C(=O)Nc2ccccc2O)cc1.C=Cc1ccc(/C=N/c2ccccc2O)cc1.C=Cc1ccc(C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?
The InChIKey is OGDKXGVTWSVBTB-GTXJCILBSA-N. The full InChI is InChI=1S/C16H15NO2.C16H15NO.C15H13NO2.C15H13NO/c1-11(2)12-7-9-13(10-8-12)16(19)17-14-5-3-4-6-15(14)18;1-12(2)14-9-7-13(8-10-14)11-17-15-5-3-4-6-16(15)18;1-2-11-7-9-12(10-8-11)15(18)16-13-5-3-4-6-14(13)17;1-2-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17/h3-10,18H,1H2,2H3,(H,17,19);3-11,18H,1H2,2H3;2-10,17H,1H2,(H,16,18);2-11,17H,1H2/b;17-11+;;16-11+.
What are the key properties of 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?
4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol has a molecular weight of 953.15 g/mol, XLogP of 14.93, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(2-hydroxyphenyl)benzamide;2-[(4-ethenylphenyl)methylideneamino]phenol;N-(2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 159984373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).