N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide

C16H23N3O6 — CID 135886613

IUPACN'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
SMILESCOc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyBLFYTNNCLMBCJO-LICLKQGHSA-N
MW353.38 g/mol
LogP1.32
Rot. Bonds10

About N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide (PubChem CID 135886613) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
PubChem CID135886613
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC NameN'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
SMILESCOc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyBLFYTNNCLMBCJO-LICLKQGHSA-N
XLogP1.32
TPSA129.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide (CID 135886613) is N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide is COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide?
The InChIKey is BLFYTNNCLMBCJO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-24-13-8-11(20)9-14(25-2)12(13)10-17-18-15(21)6-4-3-5-7-16(22)19-23/h8-10,20,23H,3-7H2,1-2H3,(H,18,21)(H,19,22)/b17-10+.
What are the key properties of N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide has a molecular weight of 353.38 g/mol, XLogP of 1.32, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 135886613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).