5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide

C18H20N2O5 — CID 137292377

IUPAC5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
SMILESO=C(CCCCc1ccc(O)cc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C18H20N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-11,21-22,24-25H,1-4H2,(H,20,23)/b19-11+
InChIKeyOVARUOYBYNKIBP-YBFXNURJSA-N
MW344.37 g/mol
LogP2.37
Rot. Bonds7

About 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide

5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide (PubChem CID 137292377) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
PubChem CID137292377
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
SMILESO=C(CCCCc1ccc(O)cc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C18H20N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-11,21-22,24-25H,1-4H2,(H,20,23)/b19-11+
InChIKeyOVARUOYBYNKIBP-YBFXNURJSA-N
XLogP2.37
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Pandacostat
CID 135928012
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134133579
3-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
CID 134135354
5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
CID 134145201
5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
CID 134145978
2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
CID 134149302
4-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134150601
3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
CID 134156603
4-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134156981
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide (CID 137292377) is 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide is O=C(CCCCc1ccc(O)cc1)N/N=C/c1ccc(O)c(O)c1O.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is OVARUOYBYNKIBP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-14-8-5-12(6-9-14)3-1-2-4-16(23)20-19-11-13-7-10-15(22)18(25)17(13)24/h5-11,21-22,24-25H,1-4H2,(H,20,23)/b19-11+.
What are the key properties of 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide?
5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 344.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 137292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).