N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide

C15H14N2O5 — CID 135647794

IUPACN-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1c(O)cccc1O
InChIInChI=1S/C15H14N2O5/c1-8(14-12(20)3-2-4-13(14)21)16-17-15(22)10-7-9(18)5-6-11(10)19/h2-7,18-21H,1H3,(H,17,22)/b16-8+
InChIKeyNECXXAQILCRZME-LZYBPNLTSA-N
MW302.29 g/mol
LogP1.66
Rot. Bonds3

About N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide

N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide (PubChem CID 135647794) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
PubChem CID135647794
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1c(O)cccc1O
InChIInChI=1S/C15H14N2O5/c1-8(14-12(20)3-2-4-13(14)21)16-17-15(22)10-7-9(18)5-6-11(10)19/h2-7,18-21H,1H3,(H,17,22)/b16-8+
InChIKeyNECXXAQILCRZME-LZYBPNLTSA-N
XLogP1.66
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
CID 17337785
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide (CID 135647794) is N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide is C/C(=N\NC(=O)c1cc(O)ccc1O)c1c(O)cccc1O.
What is the InChIKey of N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The InChIKey is NECXXAQILCRZME-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-8(14-12(20)3-2-4-13(14)21)16-17-15(22)10-7-9(18)5-6-11(10)19/h2-7,18-21H,1H3,(H,17,22)/b16-8+.
What are the key properties of N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide?
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide has a molecular weight of 302.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide is sourced from PubChem (CID 135647794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).