N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide

C34H29N3O8 — CID 126374798

About N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 126374798) has the molecular formula C34H29N3O8 and a molecular weight of 607.62 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 126374798
• Molecular Formula: C34H29N3O8
• Molecular Weight: 607.62 g/mol
• Exact Mass: 607.20
• IUPAC Name: N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
• SMILES: COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC
• InChI: InChI=1S/C34H29N3O8/c1-42-28-11-7-6-10-27(28)35-31(38)21-45-29-17-12-23(19-30(29)43-2)18-26-32(39)36-34(41)37(33(26)40)24-13-15-25(16-14-24)44-20-22-8-4-3-5-9-22/h3-19H,20-21H2,1-2H3,(H,35,38)(H,36,39,41)/b26-18-
• InChIKey: MDXSOHQPLAXFMY-ITYLOYPMSA-N
• XLogP: 4.97
• TPSA: 132.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.62
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide (CID 126374798) is N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC.

What is the InChIKey of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide?

The InChIKey is MDXSOHQPLAXFMY-ITYLOYPMSA-N. The full InChI is InChI=1S/C34H29N3O8/c1-42-28-11-7-6-10-27(28)35-31(38)21-45-29-17-12-23(19-30(29)43-2)18-26-32(39)36-34(41)37(33(26)40)24-13-15-25(16-14-24)44-20-22-8-4-3-5-9-22/h3-19H,20-21H2,1-2H3,(H,35,38)(H,36,39,41)/b26-18-.

What are the key properties of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide?

N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 607.62 g/mol, XLogP of 4.97, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126374798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).