2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide

C24H20N4O4 — CID 171981258

IUPAC2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(N/N=C/c1ccccc1O)C(=Cc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O4/c29-21-12-6-4-10-18(21)15-25-27-23(31)20(14-17-8-2-1-3-9-17)24(32)28-26-16-19-11-5-7-13-22(19)30/h1-16,29-30H,(H,27,31)(H,28,32)/b25-15+,26-16+
InChIKeyLREKZCMMJGFZOZ-RYQLWAFASA-N
MW428.45 g/mol
LogP2.78
Rot. Bonds7

About 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide

2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 171981258) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound Name2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID171981258
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(N/N=C/c1ccccc1O)C(=Cc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O4/c29-21-12-6-4-10-18(21)15-25-27-23(31)20(14-17-8-2-1-3-9-17)24(32)28-26-16-19-11-5-7-13-22(19)30/h1-16,29-30H,(H,27,31)(H,28,32)/b25-15+,26-16+
InChIKeyLREKZCMMJGFZOZ-RYQLWAFASA-N
XLogP2.78
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135684223
(2E)-2-benzylidene-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 136841941
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
N-[(Z)-3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 135479837

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide (CID 171981258) is 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide is O=C(N/N=C/c1ccccc1O)C(=Cc1ccccc1)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is LREKZCMMJGFZOZ-RYQLWAFASA-N. The full InChI is InChI=1S/C24H20N4O4/c29-21-12-6-4-10-18(21)15-25-27-23(31)20(14-17-8-2-1-3-9-17)24(32)28-26-16-19-11-5-7-13-22(19)30/h1-16,29-30H,(H,27,31)(H,28,32)/b25-15+,26-16+.
What are the key properties of 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 428.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 171981258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).