N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

C32H27N3O5 — CID 122177913

About N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 122177913) has the molecular formula C32H27N3O5 and a molecular weight of 533.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 122177913
• Molecular Formula: C32H27N3O5
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
• SMILES: COc1cccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)c1
• InChI: InChI=1S/C32H27N3O5/c1-38-27-12-6-10-24(19-27)33-30(36)21-40-26-16-14-22(15-17-26)18-29-32(37)35(25-11-7-13-28(20-25)39-2)31(34-29)23-8-4-3-5-9-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-18-
• InChIKey: AIBRPULOBGQCAB-MIXAMLLLSA-N
• XLogP: 5.56
• TPSA: 89.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (CID 122177913) is N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.

What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is COc1cccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)cc2)c1.

What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

The InChIKey is AIBRPULOBGQCAB-MIXAMLLLSA-N. The full InChI is InChI=1S/C32H27N3O5/c1-38-27-12-6-10-24(19-27)33-30(36)21-40-26-16-14-22(15-17-26)18-29-32(37)35(25-11-7-13-28(20-25)39-2)31(34-29)23-8-4-3-5-9-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-18-.

What are the key properties of N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?

N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 533.58 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-2-[4-[(Z)-[1-(3-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 122177913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).