5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide

C18H22N2O4 — CID 134145978

IUPAC5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
SMILESO=C(CCCCc1ccccc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C18H22N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-11,19,21,23-24H,4-5,8-9,12H2,(H,20,22)
InChIKeyCQOBRJZTCBMPTI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.34
Rot. Bonds8

About 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide

5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide (PubChem CID 134145978) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide.

Molecular Properties

Compound Name5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
PubChem CID134145978
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
SMILESO=C(CCCCc1ccccc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C18H22N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-11,19,21,23-24H,4-5,8-9,12H2,(H,20,22)
InChIKeyCQOBRJZTCBMPTI-UHFFFAOYSA-N
XLogP2.34
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The IUPAC name of 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide (CID 134145978) is 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide.
What is the SMILES notation for 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The canonical SMILES for 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide is O=C(CCCCc1ccccc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The InChIKey is CQOBRJZTCBMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15-11-10-14(17(23)18(15)24)12-19-20-16(22)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-11,19,21,23-24H,4-5,8-9,12H2,(H,20,22).
What are the key properties of 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide has a molecular weight of 330.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide is sourced from PubChem (CID 134145978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).