N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide

C24H30N4O6 — CID 3787360

IUPACN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide
SMILESCOc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C24H30N4O6/c1-33-21-13-17(9-11-19(21)29)15-25-27-23(31)7-5-3-4-6-8-24(32)28-26-16-18-10-12-20(30)22(14-18)34-2/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyUETAICSDBFKZGK-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.06
Rot. Bonds13

About N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide

N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide (PubChem CID 3787360) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide
PubChem CID3787360
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC NameN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide
SMILESCOc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C24H30N4O6/c1-33-21-13-17(9-11-19(21)29)15-25-27-23(31)7-5-3-4-6-8-24(32)28-26-16-18-10-12-20(30)22(14-18)34-2/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyUETAICSDBFKZGK-UHFFFAOYSA-N
XLogP3.06
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide?
The IUPAC name of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide (CID 3787360) is N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide is COc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide?
The InChIKey is UETAICSDBFKZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-33-21-13-17(9-11-19(21)29)15-25-27-23(31)7-5-3-4-6-8-24(32)28-26-16-18-10-12-20(30)22(14-18)34-2/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide?
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide has a molecular weight of 470.53 g/mol, XLogP of 3.06, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 3787360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).