(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide

C21H25N3O2 — CID 6248026

IUPAC(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide
SMILESC/C(CC(=O)NC(C)C)=N\NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(2)22-19(25)14-16(3)23-24-21(26)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,20H,14H2,1-3H3,(H,22,25)(H,24,26)/b23-16+
InChIKeyYQCRBTRWKOQIBI-XQNSMLJCSA-N
MW351.45 g/mol
LogP3.23
Rot. Bonds7

About (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide

(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide (PubChem CID 6248026) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide
PubChem CID6248026
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide
SMILESC/C(CC(=O)NC(C)C)=N\NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(2)22-19(25)14-16(3)23-24-21(26)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,20H,14H2,1-3H3,(H,22,25)(H,24,26)/b23-16+
InChIKeyYQCRBTRWKOQIBI-XQNSMLJCSA-N
XLogP3.23
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide?
The IUPAC name of (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide (CID 6248026) is (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide.
What is the SMILES notation for (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide?
The canonical SMILES for (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide is C/C(CC(=O)NC(C)C)=N\NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide?
The InChIKey is YQCRBTRWKOQIBI-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)22-19(25)14-16(3)23-24-21(26)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,20H,14H2,1-3H3,(H,22,25)(H,24,26)/b23-16+.
What are the key properties of (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide?
(3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide has a molecular weight of 351.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,2-diphenylacetyl)hydrazinylidene]-N-propan-2-ylbutanamide is sourced from PubChem (CID 6248026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).