N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide

C29H29N5O7 — CID 137184225

About N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide

N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide (PubChem CID 137184225) has the molecular formula C29H29N5O7 and a molecular weight of 559.58 g/mol. Its IUPAC name is N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide
• PubChem CID: 137184225
• Molecular Formula: C29H29N5O7
• Molecular Weight: 559.58 g/mol
• Exact Mass: 559.21
• IUPAC Name: N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide
• SMILES: COc1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc4cc(NC(C)=O)ccc4c3O)cc2OC)c(OCCO)c1
• InChI: InChI=1S/C29H29N5O7/c1-17(36)30-19-6-8-21-18(13-19)5-9-23(29(21)37)32-34-25-16-26(39-3)24(15-27(25)40-4)33-31-22-10-7-20(38-2)14-28(22)41-12-11-35/h5-10,13-16,35,37H,11-12H2,1-4H3,(H,30,36)/b33-31+,34-32+
• InChIKey: ZGSVFCOXCBLUIE-FMWAKIAMSA-N
• XLogP: 6.73
• TPSA: 155.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	559.58
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide?

The IUPAC name of N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide (CID 137184225) is N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide.

What is the SMILES notation for N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide?

The canonical SMILES for N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide is COc1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc4cc(NC(C)=O)ccc4c3O)cc2OC)c(OCCO)c1.

What is the InChIKey of N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide?

The InChIKey is ZGSVFCOXCBLUIE-FMWAKIAMSA-N. The full InChI is InChI=1S/C29H29N5O7/c1-17(36)30-19-6-8-21-18(13-19)5-9-23(29(21)37)32-34-25-16-26(39-3)24(15-27(25)40-4)33-31-22-10-7-20(38-2)14-28(22)41-12-11-35/h5-10,13-16,35,37H,11-12H2,1-4H3,(H,30,36)/b33-31+,34-32+.

What are the key properties of N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide?

N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide has a molecular weight of 559.58 g/mol, XLogP of 6.73, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-hydroxy-6-[[4-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalen-2-yl]acetamide is sourced from PubChem (CID 137184225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).