4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide

C21H27N3O2 — CID 6047951

IUPAC4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)21(26)23-22-16(3)6-7-17-8-14-20(25)15-9-17/h8-15,25H,4-7H2,1-3H3,(H,23,26)/b22-16-
InChIKeyYRLUVUXODZVEBU-JWGURIENSA-N
MW353.47 g/mol
LogP3.98
Rot. Bonds8

About 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide

4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide (PubChem CID 6047951) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide
PubChem CID6047951
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)21(26)23-22-16(3)6-7-17-8-14-20(25)15-9-17/h8-15,25H,4-7H2,1-3H3,(H,23,26)/b22-16-
InChIKeyYRLUVUXODZVEBU-JWGURIENSA-N
XLogP3.98
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide (CID 6047951) is 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide is CCN(CC)c1ccc(C(=O)N/N=C(/C)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide?
The InChIKey is YRLUVUXODZVEBU-JWGURIENSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)21(26)23-22-16(3)6-7-17-8-14-20(25)15-9-17/h8-15,25H,4-7H2,1-3H3,(H,23,26)/b22-16-.
What are the key properties of 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide?
4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(Z)-4-(4-hydroxyphenyl)butan-2-ylideneamino]benzamide is sourced from PubChem (CID 6047951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).