4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

C22H29N3O2 — CID 135503184

IUPAC4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-12-13-20(26)17(14-19)15-23-24-21(27)16-8-10-18(11-9-16)22(3,4)5/h8-15,26H,6-7H2,1-5H3,(H,24,27)/b23-15+
InChIKeyTYQLPMAQFGWDPK-HZHRSRAPSA-N
MW367.49 g/mol
LogP4.30
Rot. Bonds6

About 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135503184) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135503184
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-12-13-20(26)17(14-19)15-23-24-21(27)16-8-10-18(11-9-16)22(3,4)5/h8-15,26H,6-7H2,1-5H3,(H,24,27)/b23-15+
InChIKeyTYQLPMAQFGWDPK-HZHRSRAPSA-N
XLogP4.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-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

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136766572
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]cyclopropane-1-carboxamide
CID 136861414
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (CID 135503184) is 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is CCN(CC)c1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is TYQLPMAQFGWDPK-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-25(7-2)19-12-13-20(26)17(14-19)15-23-24-21(27)16-8-10-18(11-9-16)22(3,4)5/h8-15,26H,6-7H2,1-5H3,(H,24,27)/b23-15+.
What are the key properties of 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135503184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).