N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide

C18H19NO2 — CID 59811493

IUPACN-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)7-8-14-9-11-15(12-10-14)18(21)19-16-5-3-4-6-17(16)20/h3-13,20H,1-2H3,(H,19,21)/b8-7+
InChIKeyDTAHMIYWZAUNEU-BQYQJAHWSA-N
MW281.36 g/mol
LogP4.31
Rot. Bonds4

About N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide

N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide (PubChem CID 59811493) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
PubChem CID59811493
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)7-8-14-9-11-15(12-10-14)18(21)19-16-5-3-4-6-17(16)20/h3-13,20H,1-2H3,(H,19,21)/b8-7+
InChIKeyDTAHMIYWZAUNEU-BQYQJAHWSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
CID 11529895
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
4-fluoro-N-[(2S)-1-(2-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 24535614
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide (CID 59811493) is N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide is CC(C)/C=C/c1ccc(C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The InChIKey is DTAHMIYWZAUNEU-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)7-8-14-9-11-15(12-10-14)18(21)19-16-5-3-4-6-17(16)20/h3-13,20H,1-2H3,(H,19,21)/b8-7+.
What are the key properties of N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide is sourced from PubChem (CID 59811493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).