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

C18H18N4O4 — CID 135429969

IUPACN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N4O4/c23-15-7-3-1-5-13(15)11-19-21-17(25)9-10-18(26)22-20-12-14-6-2-4-8-16(14)24/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11+,20-12+
InChIKeyIKQDBMRHCBEHHH-AYKLPDECSA-N
MW354.37 g/mol
LogP1.48
Rot. Bonds7

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

N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 135429969) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID135429969
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N4O4/c23-15-7-3-1-5-13(15)11-19-21-17(25)9-10-18(26)22-20-12-14-6-2-4-8-16(14)24/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11+,20-12+
InChIKeyIKQDBMRHCBEHHH-AYKLPDECSA-N
XLogP1.48
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
N-benzyl-4-[2-(2-hydroxybenzylidene)hydrazino]-4-oxobutanamide
CID 135401421
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
1,5-Bis(salicylidene)carbohydrazide
CID 96015
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
Hydroxy-N-[(2-hydroxyphenyl)methylidene](phenyl)ethanehydrazonic acid
CID 258649
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135510947
(N''1E,N''2E)-N''1,N''2-bis(2,3-dihydroxybenzylidene)oxalohydrazide
CID 135679117

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide (CID 135429969) is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is IKQDBMRHCBEHHH-AYKLPDECSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-15-7-3-1-5-13(15)11-19-21-17(25)9-10-18(26)22-20-12-14-6-2-4-8-16(14)24/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11+,20-12+.
What are the key properties of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 354.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135429969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).