2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

C16H18N4O4 — CID 17651

IUPAC2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2/b18-17+
InChIKeyGHDZRIQTRDZCMV-ISLYRVAYSA-N
MW330.34 g/mol
LogP2.80
Rot. Bonds8

About 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (PubChem CID 17651) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
PubChem CID17651
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2/b18-17+
InChIKeyGHDZRIQTRDZCMV-ISLYRVAYSA-N
XLogP2.80
TPSA111.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (CID 17651) is 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The InChIKey is GHDZRIQTRDZCMV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2/b18-17+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol has a molecular weight of 330.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 17651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).