N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide

C13H18N2O3 — CID 17337785

IUPACN-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
SMILESCCCC/C(C)=N/NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H18N2O3/c1-3-4-5-9(2)14-15-13(18)11-8-10(16)6-7-12(11)17/h6-8,16-17H,3-5H2,1-2H3,(H,15,18)/b14-9+
InChIKeyZNRTZSTZHQTHQI-NTEUORMPSA-N
MW250.30 g/mol
LogP2.39
Rot. Bonds5

About N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide

N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide (PubChem CID 17337785) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
PubChem CID17337785
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
SMILESCCCC/C(C)=N/NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H18N2O3/c1-3-4-5-9(2)14-15-13(18)11-8-10(16)6-7-12(11)17/h6-8,16-17H,3-5H2,1-2H3,(H,15,18)/b14-9+
InChIKeyZNRTZSTZHQTHQI-NTEUORMPSA-N
XLogP2.39
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.39
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

2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
CID 17337787
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 5149450
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
CID 141408132
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide (CID 17337785) is N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide is CCCC/C(C)=N/NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide?
The InChIKey is ZNRTZSTZHQTHQI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-4-5-9(2)14-15-13(18)11-8-10(16)6-7-12(11)17/h6-8,16-17H,3-5H2,1-2H3,(H,15,18)/b14-9+.
What are the key properties of N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide?
N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide is sourced from PubChem (CID 17337785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).