5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C45H60N2O6 — CID 67753158

IUPAC5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(C)(C)Cc1ccc(CNC=C2C(=O)OC(C)(C)OC2=O)cc1C1CCCC(N(c2ccc(O)cc2C(C)(C)C)c2ccc(O)cc2C(C)(C)C)C1
InChIInChI=1S/C45H60N2O6/c1-42(2,3)25-30-16-15-28(26-46-27-35-40(50)52-45(10,11)53-41(35)51)21-34(30)29-13-12-14-31(22-29)47(38-19-17-32(48)23-36(38)43(4,5)6)39-20-18-33(49)24-37(39)44(7,8)9/h15-21,23-24,27,29,31,46,48-49H,12-14,22,25-26H2,1-11H3
InChIKeySQJUIIJBUKYFCB-UHFFFAOYSA-N
MW724.98 g/mol
LogP9.96
Rot. Bonds8

About 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 67753158) has the molecular formula C45H60N2O6 and a molecular weight of 724.98 g/mol. Its IUPAC name is 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID67753158
Molecular FormulaC45H60N2O6
Molecular Weight724.98 g/mol
Exact Mass724.45
IUPAC Name5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(C)(C)Cc1ccc(CNC=C2C(=O)OC(C)(C)OC2=O)cc1C1CCCC(N(c2ccc(O)cc2C(C)(C)C)c2ccc(O)cc2C(C)(C)C)C1
InChIInChI=1S/C45H60N2O6/c1-42(2,3)25-30-16-15-28(26-46-27-35-40(50)52-45(10,11)53-41(35)51)21-34(30)29-13-12-14-31(22-29)47(38-19-17-32(48)23-36(38)43(4,5)6)39-20-18-33(49)24-37(39)44(7,8)9/h15-21,23-24,27,29,31,46,48-49H,12-14,22,25-26H2,1-11H3
InChIKeySQJUIIJBUKYFCB-UHFFFAOYSA-N
XLogP9.96
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.98
LogP ≤ 59.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

5-[[Cyclohexyl-[[4-(2,2-dimethylpropyl)phenyl]methyl]amino]-(3,5-ditert-butyl-4-hydroxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 18947645
5-[(3,5-Ditert-butyl-4-hydroxyanilino)-[[4-(2,2-dimethylpropyl)phenyl]methyl-heptan-2-ylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 18947648
5-[[1-(3,5-Ditert-butyl-4-hydroxyanilino)hexyl-[[4-(2-methylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 20084154
5-[[[1-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-[[4-(2,2-dimethylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67753159
5-[[[3-[5-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)hexyl]-4-(2-methylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67814932
5-[[1-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)hexyl-[[4-(2-methylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 67814935
5-[(3,5-Ditert-butyl-4-hydroxyanilino)-[hexyl-[[4-(2-methylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 88401719
5-[[6-(3,5-Ditert-butyl-4-hydroxyanilino)hexyl-[[4-(2-methylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 88439319
5-[7-(3,5-Ditert-butyl-4-hydroxyanilino)-1-[[4-(2-methylpropyl)phenyl]methylamino]heptylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 88486809
5-[[[1-(3,5-Ditert-butyl-4-hydroxyanilino)cyclohexyl]-[[4-(2,2-dimethylpropyl)phenyl]methyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 20084157
5-[[(4-Hydroxynaphthalen-1-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537225
5-[(4-Hydroxy-2-methyl-5-propan-2-ylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540336

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 67753158) is 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC(C)(C)Cc1ccc(CNC=C2C(=O)OC(C)(C)OC2=O)cc1C1CCCC(N(c2ccc(O)cc2C(C)(C)C)c2ccc(O)cc2C(C)(C)C)C1.
What is the InChIKey of 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is SQJUIIJBUKYFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H60N2O6/c1-42(2,3)25-30-16-15-28(26-46-27-35-40(50)52-45(10,11)53-41(35)51)21-34(30)29-13-12-14-31(22-29)47(38-19-17-32(48)23-36(38)43(4,5)6)39-20-18-33(49)24-37(39)44(7,8)9/h15-21,23-24,27,29,31,46,48-49H,12-14,22,25-26H2,1-11H3.
What are the key properties of 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 724.98 g/mol, XLogP of 9.96, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[3-(2-tert-butyl-N-(2-tert-butyl-4-hydroxyphenyl)-4-hydroxyanilino)cyclohexyl]-4-(2,2-dimethylpropyl)phenyl]methylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 67753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).