N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide

C17H16N4O6 — CID 135648812

IUPACN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H16N4O6/c22-12-3-1-10(14(24)5-12)8-18-20-16(26)7-17(27)21-19-9-11-2-4-13(23)6-15(11)25/h1-6,8-9,22-25H,7H2,(H,20,26)(H,21,27)/b18-8+,19-9+
InChIKeyFMNQACVNDJZEFA-GCBPPVMSSA-N
MW372.34 g/mol
LogP0.50
Rot. Bonds6

About N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide (PubChem CID 135648812) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
PubChem CID135648812
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC NameN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H16N4O6/c22-12-3-1-10(14(24)5-12)8-18-20-16(26)7-17(27)21-19-9-11-2-4-13(23)6-15(11)25/h1-6,8-9,22-25H,7H2,(H,20,26)(H,21,27)/b18-8+,19-9+
InChIKeyFMNQACVNDJZEFA-GCBPPVMSSA-N
XLogP0.50
TPSA163.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 50.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide (CID 135648812) is N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is FMNQACVNDJZEFA-GCBPPVMSSA-N. The full InChI is InChI=1S/C17H16N4O6/c22-12-3-1-10(14(24)5-12)8-18-20-16(26)7-17(27)21-19-9-11-2-4-13(23)6-15(11)25/h1-6,8-9,22-25H,7H2,(H,20,26)(H,21,27)/b18-8+,19-9+.
What are the key properties of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide?
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 372.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135648812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).