4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol

C28H40N2O2 — CID 137047505

IUPAC4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
SMILESCCc1cc(C(C)CC)cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(CC)c2O)c1O
InChIInChI=1S/C28H40N2O2/c1-7-19(5)23-13-21(9-3)27(31)25(15-23)17-29-11-12-30-18-26-16-24(20(6)8-2)14-22(10-4)28(26)32/h13-20,31-32H,7-12H2,1-6H3/b29-17+,30-18+
InChIKeyFUVJDXLIONFZDH-YAGSLNJISA-N
MW436.64 g/mol
LogP6.79
Rot. Bonds11

About 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol

4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol (PubChem CID 137047505) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
PubChem CID137047505
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
SMILESCCc1cc(C(C)CC)cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(CC)c2O)c1O
InChIInChI=1S/C28H40N2O2/c1-7-19(5)23-13-21(9-3)27(31)25(15-23)17-29-11-12-30-18-26-16-24(20(6)8-2)14-22(10-4)28(26)32/h13-20,31-32H,7-12H2,1-6H3/b29-17+,30-18+
InChIKeyFUVJDXLIONFZDH-YAGSLNJISA-N
XLogP6.79
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.79
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-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol with MolForge

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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
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol
CID 137143376
2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137037419
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137037636
4-butan-2-yl-2,6-diethylaniline
CID 12905471
4-butan-2-yl-2-[(1,2-diaminocyclopentyl)methyl]-6-(propan-2-yliminomethyl)phenol
CID 175269549
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol?
The IUPAC name of 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol (CID 137047505) is 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol.
What is the SMILES notation for 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol?
The canonical SMILES for 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol is CCc1cc(C(C)CC)cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(CC)c2O)c1O.
What is the InChIKey of 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol?
The InChIKey is FUVJDXLIONFZDH-YAGSLNJISA-N. The full InChI is InChI=1S/C28H40N2O2/c1-7-19(5)23-13-21(9-3)27(31)25(15-23)17-29-11-12-30-18-26-16-24(20(6)8-2)14-22(10-4)28(26)32/h13-20,31-32H,7-12H2,1-6H3/b29-17+,30-18+.
What are the key properties of 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol?
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol has a molecular weight of 436.64 g/mol, XLogP of 6.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol is sourced from PubChem (CID 137047505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).