N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide

C18H18N4O4 — CID 136704221

IUPACN,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C\c1ccc(O)cc1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C18H18N4O4/c23-15-5-1-13(2-6-15)11-19-21-17(25)9-10-18(26)22-20-12-14-3-7-16(24)8-4-14/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11-,20-12-
InChIKeyAHDLADZFJAFOBI-YZLQMOBTSA-N
MW354.37 g/mol
LogP1.48
Rot. Bonds7

About N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide

N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 136704221) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID136704221
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C\c1ccc(O)cc1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C18H18N4O4/c23-15-5-1-13(2-6-15)11-19-21-17(25)9-10-18(26)22-20-12-14-3-7-16(24)8-4-14/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11-,20-12-
InChIKeyAHDLADZFJAFOBI-YZLQMOBTSA-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_B(215)', '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

4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135788644
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide (CID 136704221) is N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)N/N=C\c1ccc(O)cc1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is AHDLADZFJAFOBI-YZLQMOBTSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-15-5-1-13(2-6-15)11-19-21-17(25)9-10-18(26)22-20-12-14-3-7-16(24)8-4-14/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[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(4-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[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 136704221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).