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

C23H30N2O3 — CID 136789428

IUPACN-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30N2O3/c1-22(2,3)18-11-16(12-19(21(18)28)23(4,5)6)14-24-25-20(27)13-15-7-9-17(26)10-8-15/h7-12,14,26,28H,13H2,1-6H3,(H,25,27)/b24-14-
InChIKeyIOOQKLMYBGGYLM-OYKKKHCWSA-N
MW382.50 g/mol
LogP4.39
Rot. Bonds4

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

N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 136789428) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID136789428
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30N2O3/c1-22(2,3)18-11-16(12-19(21(18)28)23(4,5)6)14-24-25-20(27)13-15-7-9-17(26)10-8-15/h7-12,14,26,28H,13H2,1-6H3,(H,25,27)/b24-14-
InChIKeyIOOQKLMYBGGYLM-OYKKKHCWSA-N
XLogP4.39
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.39
H-Bond Donors ≤ 53
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'}

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

N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789440
2-(4-bromonaphthalen-1-yl)-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 5009478
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
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
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 4262364
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135479599

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (CID 136789428) is N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is CC(C)(C)c1cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is IOOQKLMYBGGYLM-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(2,3)18-11-16(12-19(21(18)28)23(4,5)6)14-24-25-20(27)13-15-7-9-17(26)10-8-15/h7-12,14,26,28H,13H2,1-6H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 136789428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).