2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

C17H16N2O2 — CID 6898776

IUPAC2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(11-14-7-3-2-4-8-14)12-18-19-17(21)15-9-5-6-10-16(15)20/h2-12,20H,1H3,(H,19,21)/b13-11+,18-12+
InChIKeyPTFJZIGXQCFUJM-GTSFMQCKSA-N
MW280.33 g/mol
LogP3.21
Rot. Bonds4

About 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 6898776) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID6898776
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(11-14-7-3-2-4-8-14)12-18-19-17(21)15-9-5-6-10-16(15)20/h2-12,20H,1H3,(H,19,21)/b13-11+,18-12+
InChIKeyPTFJZIGXQCFUJM-GTSFMQCKSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (CID 6898776) is 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is CC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is PTFJZIGXQCFUJM-GTSFMQCKSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(11-14-7-3-2-4-8-14)12-18-19-17(21)15-9-5-6-10-16(15)20/h2-12,20H,1H3,(H,19,21)/b13-11+,18-12+.
What are the key properties of 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 6898776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).