gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol

C30H46GaN4O4+3 — CID 135437988

IUPACgallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/CC(C)(C)CNCCNCC(C)(C)C/N=C/c2cccc(OCC)c2O)c1O.[Ga+3]
InChIInChI=1S/C30H46N4O4.Ga/c1-7-37-25-13-9-11-23(27(25)35)17-33-21-29(3,4)19-31-15-16-32-20-30(5,6)22-34-18-24-12-10-14-26(28(24)36)38-8-2;/h9-14,17-18,31-32,35-36H,7-8,15-16,19-22H2,1-6H3;/q;+3/b33-17+,34-18+;
InChIKeyUYQKVFLYLZRGQB-XQZPEDSMSA-N
MW596.45 g/mol
LogP4.28
Rot. Bonds17

About gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol

gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol (PubChem CID 135437988) has the molecular formula C30H46GaN4O4+3 and a molecular weight of 596.45 g/mol. Its IUPAC name is gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Namegallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol
PubChem CID135437988
Molecular FormulaC30H46GaN4O4+3
Molecular Weight596.45 g/mol
Exact Mass595.28
IUPAC Namegallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/CC(C)(C)CNCCNCC(C)(C)C/N=C/c2cccc(OCC)c2O)c1O.[Ga+3]
InChIInChI=1S/C30H46N4O4.Ga/c1-7-37-25-13-9-11-23(27(25)35)17-33-21-29(3,4)19-31-15-16-32-20-30(5,6)22-34-18-24-12-10-14-26(28(24)36)38-8-2;/h9-14,17-18,31-32,35-36H,7-8,15-16,19-22H2,1-6H3;/q;+3/b33-17+,34-18+;
InChIKeyUYQKVFLYLZRGQB-XQZPEDSMSA-N
XLogP4.28
TPSA107.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.45
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol 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

2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845
sodium;cobalt(3+);2-ethoxy-6-[[3-[(3-ethoxy-2-oxidophenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenolate;diisothiocyanate;hydrate
CID 139171905
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-[2-[2-[2-[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethylamino]ethylamino]ethylamino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 135475453
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023

Frequently Asked Questions

What is the IUPAC name of gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The IUPAC name of gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol (CID 135437988) is gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol.
What is the SMILES notation for gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The canonical SMILES for gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol is CCOc1cccc(/C=N/CC(C)(C)CNCCNCC(C)(C)C/N=C/c2cccc(OCC)c2O)c1O.[Ga+3].
What is the InChIKey of gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The InChIKey is UYQKVFLYLZRGQB-XQZPEDSMSA-N. The full InChI is InChI=1S/C30H46N4O4.Ga/c1-7-37-25-13-9-11-23(27(25)35)17-33-21-29(3,4)19-31-15-16-32-20-30(5,6)22-34-18-24-12-10-14-26(28(24)36)38-8-2;/h9-14,17-18,31-32,35-36H,7-8,15-16,19-22H2,1-6H3;/q;+3/b33-17+,34-18+;.
What are the key properties of gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol?
gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol has a molecular weight of 596.45 g/mol, XLogP of 4.28, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol is sourced from PubChem (CID 135437988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).