N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide

C17H18N2O3 — CID 17337800

IUPACN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1cc(C)ccc1C
InChIInChI=1S/C17H18N2O3/c1-10-4-5-11(2)14(8-10)12(3)18-19-17(22)15-9-13(20)6-7-16(15)21/h4-9,20-21H,1-3H3,(H,19,22)/b18-12+
InChIKeyZHUQYUZDVWAWBO-LDADJPATSA-N
MW298.34 g/mol
LogP2.87
Rot. Bonds3

About N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide

N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide (PubChem CID 17337800) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
PubChem CID17337800
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1cc(C)ccc1C
InChIInChI=1S/C17H18N2O3/c1-10-4-5-11(2)14(8-10)12(3)18-19-17(22)15-9-13(20)6-7-16(15)21/h4-9,20-21H,1-3H3,(H,19,22)/b18-12+
InChIKeyZHUQYUZDVWAWBO-LDADJPATSA-N
XLogP2.87
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide (CID 17337800) is N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide is C/C(=N\NC(=O)c1cc(O)ccc1O)c1cc(C)ccc1C.
What is the InChIKey of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The InChIKey is ZHUQYUZDVWAWBO-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-4-5-11(2)14(8-10)12(3)18-19-17(22)15-9-13(20)6-7-16(15)21/h4-9,20-21H,1-3H3,(H,19,22)/b18-12+.
What are the key properties of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide is sourced from PubChem (CID 17337800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).