4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol

C26H36N2O2 — CID 137117917

IUPAC4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
SMILESCCc1cc(/C=N/CC/N=C/c2cc(CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C26H36N2O2/c1-7-19-11-21(25(29)23(13-19)17(3)4)15-27-9-10-28-16-22-12-20(8-2)14-24(18(5)6)26(22)30/h11-18,29-30H,7-10H2,1-6H3/b27-15+,28-16+
InChIKeyNGENUXAPLZBLQG-DPCVLPDWSA-N
MW408.59 g/mol
LogP6.01
Rot. Bonds9

About 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol

4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol (PubChem CID 137117917) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
PubChem CID137117917
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
SMILESCCc1cc(/C=N/CC/N=C/c2cc(CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C26H36N2O2/c1-7-19-11-21(25(29)23(13-19)17(3)4)15-27-9-10-28-16-22-12-20(8-2)14-24(18(5)6)26(22)30/h11-18,29-30H,7-10H2,1-6H3/b27-15+,28-16+
InChIKeyNGENUXAPLZBLQG-DPCVLPDWSA-N
XLogP6.01
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol 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

4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
carbanide;carbonic acid;cobalt;tributyl-[4-[4-hydroxy-3-[2-[(2-hydroxy-5-pentyl-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-5-propan-2-ylphenyl]butyl]azanium
CID 159795596
2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137037419
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137037636
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188
2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
CID 137029937
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335
4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol
CID 162108034
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The IUPAC name of 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol (CID 137117917) is 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol.
What is the SMILES notation for 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The canonical SMILES for 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol is CCc1cc(/C=N/CC/N=C/c2cc(CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1.
What is the InChIKey of 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The InChIKey is NGENUXAPLZBLQG-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-7-19-11-21(25(29)23(13-19)17(3)4)15-27-9-10-28-16-22-12-20(8-2)14-24(18(5)6)26(22)30/h11-18,29-30H,7-10H2,1-6H3/b27-15+,28-16+.
What are the key properties of 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol has a molecular weight of 408.59 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol is sourced from PubChem (CID 137117917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).