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

C17H16N4O4 — CID 135648265

IUPACN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16N4O4/c22-14-5-1-12(2-6-14)10-18-20-16(24)9-17(25)21-19-11-13-3-7-15(23)8-4-13/h1-8,10-11,22-23H,9H2,(H,20,24)(H,21,25)/b18-10+,19-11+
InChIKeyQJTBIGLYHXSOOR-XOBNHNQQSA-N
MW340.34 g/mol
LogP1.09
Rot. Bonds6

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

N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 135648265) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID135648265
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16N4O4/c22-14-5-1-12(2-6-14)10-18-20-16(24)9-17(25)21-19-11-13-3-7-15(23)8-4-13/h1-8,10-11,22-23H,9H2,(H,20,24)(H,21,25)/b18-10+,19-11+
InChIKeyQJTBIGLYHXSOOR-XOBNHNQQSA-N
XLogP1.09
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxyphenyl)methylidene]butanehydrazide
CID 135521519
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
Acetic acid, (diphenylphosphinyl)-, ((4-hydroxyphenyl)methylene)hydrazide
CID 135611784
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 232434

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide (CID 135648265) is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is QJTBIGLYHXSOOR-XOBNHNQQSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-14-5-1-12(2-6-14)10-18-20-16(24)9-17(25)21-19-11-13-3-7-15(23)8-4-13/h1-8,10-11,22-23H,9H2,(H,20,24)(H,21,25)/b18-10+,19-11+.
What are the key properties of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide?
N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 340.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135648265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).