N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

C₁₆H₁₆N₂O₂ — CID 135419539

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 135419539) has the molecular formula C₁₆H₁₆N₂O₂ and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
• PubChem CID: 135419539
• Molecular Formula: C₁₆H₁₆N₂O₂
• Molecular Weight: 268.32 g/mol
• Exact Mass: 268.12
• IUPAC Name: N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)N/N=C/c1ccccc1O
• InChI: InChI=1S/C16H16N2O2/c19-15-9-5-4-8-14(15)12-17-18-16(20)11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20)/b17-12+
• InChIKey: NPVIJJWTRAVAKR-SFQUDFHCSA-N
• XLogP: 2.48
• TPSA: 61.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.32
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?

The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (CID 135419539) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.

What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?

The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C/c1ccccc1O.

What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?

The InChIKey is NPVIJJWTRAVAKR-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-9-5-4-8-14(15)12-17-18-16(20)11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20)/b17-12+.

What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135419539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135419539 — identifiers, structure, computed properties (public domain)

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