N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

C25H34N2O3 — CID 4262364

IUPACN-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C25H34N2O3/c1-16-9-10-19(11-17(16)2)30-15-22(28)27-26-14-18-12-20(24(3,4)5)23(29)21(13-18)25(6,7)8/h9-14,29H,15H2,1-8H3,(H,27,28)
InChIKeyLWHJYGUOKIDYNF-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.13
Rot. Bonds5

About N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 4262364) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID4262364
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C25H34N2O3/c1-16-9-10-19(11-17(16)2)30-15-22(28)27-26-14-18-12-20(24(3,4)5)23(29)21(13-18)25(6,7)8/h9-14,29H,15H2,1-8H3,(H,27,28)
InChIKeyLWHJYGUOKIDYNF-UHFFFAOYSA-N
XLogP5.13
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135479599
2-(4-chlorophenoxy)-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 135827922
2-(4-bromophenoxy)-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 137047391
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 137166773
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
2-(4-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135643860

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (CID 4262364) is N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C.
What is the InChIKey of N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is LWHJYGUOKIDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-16-9-10-19(11-17(16)2)30-15-22(28)27-26-14-18-12-20(24(3,4)5)23(29)21(13-18)25(6,7)8/h9-14,29H,15H2,1-8H3,(H,27,28).
What are the key properties of N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 410.56 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 4262364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).