N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C19H19IN6O3 — CID 5435384

About N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 5435384) has the molecular formula C19H19IN6O3 and a molecular weight of 506.30 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
• PubChem CID: 5435384
• Molecular Formula: C19H19IN6O3
• Molecular Weight: 506.30 g/mol
• Exact Mass: 506.06
• IUPAC Name: N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
• SMILES: CCOc1c(I)cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC
• InChI: InChI=1S/C19H19IN6O3/c1-3-29-18-15(20)9-13(10-16(18)28-2)11-21-22-17(27)12-26-24-19(23-25-26)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27)/b21-11-
• InChIKey: UCUAXILRXGZBFM-NHDPSOOVSA-N
• XLogP: 2.50
• TPSA: 103.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.30
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?

The IUPAC name of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 5435384) is N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

What is the SMILES notation for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?

The canonical SMILES for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is CCOc1c(I)cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC.

What is the InChIKey of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?

The InChIKey is UCUAXILRXGZBFM-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H19IN6O3/c1-3-29-18-15(20)9-13(10-16(18)28-2)11-21-22-17(27)12-26-24-19(23-25-26)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27)/b21-11-.

What are the key properties of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?

N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 506.30 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 5435384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).