N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide

C19H20N4O4 — CID 172984598

IUPACN,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
SMILESC/C(=N\NC(=O)CC(=O)N/N=C(\C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C19H20N4O4/c1-12(14-5-3-7-16(24)9-14)20-22-18(26)11-19(27)23-21-13(2)15-6-4-8-17(25)10-15/h3-10,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/b20-12+,21-13+
InChIKeyYKBDEIOIKOLGGR-ZIOPAAQOSA-N
MW368.39 g/mol
LogP1.87
Rot. Bonds6

About N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide

N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide (PubChem CID 172984598) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
PubChem CID172984598
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
SMILESC/C(=N\NC(=O)CC(=O)N/N=C(\C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C19H20N4O4/c1-12(14-5-3-7-16(24)9-14)20-22-18(26)11-19(27)23-21-13(2)15-6-4-8-17(25)10-15/h3-10,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/b20-12+,21-13+
InChIKeyYKBDEIOIKOLGGR-ZIOPAAQOSA-N
XLogP1.87
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
CID 54777662
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
3-carbazol-9-yl-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
CID 6311614
2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135734295
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 54777648
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40598048
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide (CID 172984598) is N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide is C/C(=N\NC(=O)CC(=O)N/N=C(\C)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide?
The InChIKey is YKBDEIOIKOLGGR-ZIOPAAQOSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(14-5-3-7-16(24)9-14)20-22-18(26)11-19(27)23-21-13(2)15-6-4-8-17(25)10-15/h3-10,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/b20-12+,21-13+.
What are the key properties of N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide?
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide has a molecular weight of 368.39 g/mol, XLogP of 1.87, 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)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide is sourced from PubChem (CID 172984598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).