sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol

C32H51Br2N8NaO7 — CID 158262243

About sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol

sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol (PubChem CID 158262243) has the molecular formula C32H51Br2N8NaO7 and a molecular weight of 842.61 g/mol. Its IUPAC name is sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol.

Molecular Properties

• Compound Name: sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol
• PubChem CID: 158262243
• Molecular Formula: C32H51Br2N8NaO7
• Molecular Weight: 842.61 g/mol
• Exact Mass: 840.21
• IUPAC Name: sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol
• SMILES: CC(=O)N(C[C@H]1COC(C)(C)O1)c1cc(C)c(Br)c(C)c1.CCO.Cc1cc(NC[C@H]2COC(C)(C)O2)cc(C)c1Br.N/N=N/N=N/[N-]O.[Na+]
• InChI: InChI=1S/C16H22BrNO3.C14H20BrNO2.C2H6O.H3N6O.Na/c1-10-6-13(7-11(2)15(10)17)18(12(3)19)8-14-9-20-16(4,5)21-14;1-9-5-11(6-10(2)13(9)15)16-7-12-8-17-14(3,4)18-12;1-2-3;1-2-3-4-5-6-7;/h6-7,14H,8-9H2,1-5H3;5-6,12,16H,7-8H2,1-4H3;3H,2H2,1H3;(H3-,1,2,3,4,5,6,7);/q;;;-1;+1/t14-;12-;;;/m00.../s1
• InChIKey: GIAAGSNABHDPQE-PLWDKBMPSA-N
• XLogP: 4.56
• TPSA: 199.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	842.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol?

The IUPAC name of sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol (CID 158262243) is sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol.

What is the SMILES notation for sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol?

The canonical SMILES for sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol is CC(=O)N(C[C@H]1COC(C)(C)O1)c1cc(C)c(Br)c(C)c1.CCO.Cc1cc(NC[C@H]2COC(C)(C)O2)cc(C)c1Br.N/N=N/N=N/[N-]O.[Na+].

What is the InChIKey of sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol?

The InChIKey is GIAAGSNABHDPQE-PLWDKBMPSA-N. The full InChI is InChI=1S/C16H22BrNO3.C14H20BrNO2.C2H6O.H3N6O.Na/c1-10-6-13(7-11(2)15(10)17)18(12(3)19)8-14-9-20-16(4,5)21-14;1-9-5-11(6-10(2)13(9)15)16-7-12-8-17-14(3,4)18-12;1-2-3;1-2-3-4-5-6-7;/h6-7,14H,8-9H2,1-5H3;5-6,12,16H,7-8H2,1-4H3;3H,2H2,1H3;(H3-,1,2,3,4,5,6,7);/q;;;-1;+1/t14-;12-;;;/m00.../s1.

What are the key properties of sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol?

sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol has a molecular weight of 842.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[(E)-[(E)-aminodiazenyl]diazenyl]-hydroxyazanide;4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline;N-(4-bromo-3,5-dimethylphenyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide;ethanol is sourced from PubChem (CID 158262243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).