4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

C20H24N2O3 — CID 923419

IUPAC4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C20H24N2O3/c1-5-25-18-12-14(6-11-17(18)23)13-21-22-19(24)15-7-9-16(10-8-15)20(2,3)4/h6-13,23H,5H2,1-4H3,(H,22,24)
InChIKeyLNBCLKRKWGLAIG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.85
Rot. Bonds5

About 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 923419) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID923419
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C20H24N2O3/c1-5-25-18-12-14(6-11-17(18)23)13-21-22-19(24)15-7-9-16(10-8-15)20(2,3)4/h6-13,23H,5H2,1-4H3,(H,22,24)
InChIKeyLNBCLKRKWGLAIG-UHFFFAOYSA-N
XLogP3.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.85
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'}

Analyze 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide 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-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
2-(4-tert-butylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137057622
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 801166
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3808987

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (CID 923419) is 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1O.
What is the InChIKey of 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is LNBCLKRKWGLAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-25-18-12-14(6-11-17(18)23)13-21-22-19(24)15-7-9-16(10-8-15)20(2,3)4/h6-13,23H,5H2,1-4H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 923419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).