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

C22H26N4O6 — CID 4295517

IUPACN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
SMILESCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H26N4O6/c1-31-19-11-15(7-9-17(19)27)13-23-25-21(29)5-3-4-6-22(30)26-24-14-16-8-10-18(28)20(12-16)32-2/h7-14,27-28H,3-6H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUNHCYEVCXHUOHH-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.28
Rot. Bonds11

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

N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide (PubChem CID 4295517) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
PubChem CID4295517
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
SMILESCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H26N4O6/c1-31-19-11-15(7-9-17(19)27)13-23-25-21(29)5-3-4-6-22(30)26-24-14-16-8-10-18(28)20(12-16)32-2/h7-14,27-28H,3-6H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUNHCYEVCXHUOHH-UHFFFAOYSA-N
XLogP2.28
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.28
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'}

Analyze N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 2828255
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 137168706

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide (CID 4295517) is N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide is COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide?
The InChIKey is UNHCYEVCXHUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-31-19-11-15(7-9-17(19)27)13-23-25-21(29)5-3-4-6-22(30)26-24-14-16-8-10-18(28)20(12-16)32-2/h7-14,27-28H,3-6H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide?
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide has a molecular weight of 442.47 g/mol, XLogP of 2.28, 11 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]hexanediamide is sourced from PubChem (CID 4295517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).