4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide

C17H20N2O5 — CID 134133579

IUPAC4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
SMILESO=C(CCCc1ccc(O)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C17H20N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-9,18,20-21,23-24H,1-3,10H2,(H,19,22)
InChIKeyUHFAIQCYCCLRNB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.65
Rot. Bonds7

About 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide

4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide (PubChem CID 134133579) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
PubChem CID134133579
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
SMILESO=C(CCCc1ccc(O)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C17H20N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-9,18,20-21,23-24H,1-3,10H2,(H,19,22)
InChIKeyUHFAIQCYCCLRNB-UHFFFAOYSA-N
XLogP1.65
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.36
LogP ≤ 51.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide?
The IUPAC name of 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide (CID 134133579) is 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide is O=C(CCCc1ccc(O)cc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide?
The InChIKey is UHFAIQCYCCLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-13-7-4-11(5-8-13)2-1-3-15(22)19-18-10-12-6-9-14(21)17(24)16(12)23/h4-9,18,20-21,23-24H,1-3,10H2,(H,19,22).
What are the key properties of 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide?
4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide has a molecular weight of 332.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide is sourced from PubChem (CID 134133579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).