DZPXNVNSHUXZGC-XDOYNYLZSA-N

C₂₁H₁₇NO₂ — CID 6392325

About DZPXNVNSHUXZGC-XDOYNYLZSA-N

DZPXNVNSHUXZGC-XDOYNYLZSA-N (PubChem CID 6392325) has the molecular formula C₂₁H₁₇NO₂ and a molecular weight of 315.37 g/mol. Its IUPAC name is [(Z)-1,2-diphenylethylideneamino] benzoate.

Molecular Properties

• Compound Name: DZPXNVNSHUXZGC-XDOYNYLZSA-N
• PubChem CID: 6392325
• Molecular Formula: C₂₁H₁₇NO₂
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.13
• IUPAC Name: [(Z)-1,2-diphenylethylideneamino] benzoate
• SMILES: O=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H17NO2/c23-21(19-14-8-3-9-15-19)24-22-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20-
• InChIKey: DZPXNVNSHUXZGC-XDOYNYLZSA-N
• XLogP: 4.49
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of DZPXNVNSHUXZGC-XDOYNYLZSA-N?

The IUPAC name of DZPXNVNSHUXZGC-XDOYNYLZSA-N (CID 6392325) is [(Z)-1,2-diphenylethylideneamino] benzoate.

What is the SMILES notation for DZPXNVNSHUXZGC-XDOYNYLZSA-N?

The canonical SMILES for DZPXNVNSHUXZGC-XDOYNYLZSA-N is O=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1.

What is the InChIKey of DZPXNVNSHUXZGC-XDOYNYLZSA-N?

The InChIKey is DZPXNVNSHUXZGC-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21(19-14-8-3-9-15-19)24-22-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20-.

What are the key properties of DZPXNVNSHUXZGC-XDOYNYLZSA-N?

DZPXNVNSHUXZGC-XDOYNYLZSA-N has a molecular weight of 315.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for DZPXNVNSHUXZGC-XDOYNYLZSA-N is sourced from PubChem (CID 6392325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6392325 — identifiers, structure, computed properties (public domain)

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