(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide

C20H23N3O3 — CID 6385478

IUPAC(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15-
InChIKeyJCAFDTBMPMTSSA-QNGOZBTKSA-N
MW353.42 g/mol
LogP2.78
Rot. Bonds7

About (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide

(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide (PubChem CID 6385478) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
PubChem CID6385478
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15-
InChIKeyJCAFDTBMPMTSSA-QNGOZBTKSA-N
XLogP2.78
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide 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 (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The IUPAC name of (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide (CID 6385478) is (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The canonical SMILES for (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide is COc1ccc(CC(=O)N/N=C(/C)CC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The InChIKey is JCAFDTBMPMTSSA-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15-.
What are the key properties of (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
(3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide has a molecular weight of 353.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 6385478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).