N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide

C14H19N3O4 — CID 42618294

IUPACN'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1cccc(O)c1)NO
InChIInChI=1S/C14H19N3O4/c18-12-6-4-5-11(9-12)10-15-16-13(19)7-2-1-3-8-14(20)17-21/h4-6,9-10,18,21H,1-3,7-8H2,(H,16,19)(H,17,20)/b15-10+
InChIKeyQACYACAYHBCBED-XNTDXEJSSA-N
MW293.32 g/mol
LogP1.30
Rot. Bonds8

About N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide (PubChem CID 42618294) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide
PubChem CID42618294
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1cccc(O)c1)NO
InChIInChI=1S/C14H19N3O4/c18-12-6-4-5-11(9-12)10-15-16-13(19)7-2-1-3-8-14(20)17-21/h4-6,9-10,18,21H,1-3,7-8H2,(H,16,19)(H,17,20)/b15-10+
InChIKeyQACYACAYHBCBED-XNTDXEJSSA-N
XLogP1.30
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide (CID 42618294) is N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C/c1cccc(O)c1)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide?
The InChIKey is QACYACAYHBCBED-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-6-4-5-11(9-12)10-15-16-13(19)7-2-1-3-8-14(20)17-21/h4-6,9-10,18,21H,1-3,7-8H2,(H,16,19)(H,17,20)/b15-10+.
What are the key properties of N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide has a molecular weight of 293.32 g/mol, XLogP of 1.30, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 42618294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).