5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol

C25H36N4O4 — CID 163433155

IUPAC5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
SMILESCCCCCCN(CCCCCC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC)c(O)c1
InChIInChI=1S/C25H36N4O4/c1-4-6-8-10-16-28(17-11-9-7-5-2)20-12-14-22(24(30)18-20)26-27-23-15-13-21(29(31)32)19-25(23)33-3/h12-15,18-19,30H,4-11,16-17H2,1-3H3/b27-26+
InChIKeyNKCXMHMWYDUCMY-CYYJNZCTSA-N
MW456.59 g/mol
LogP7.69
Rot. Bonds15

About 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol

5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol (PubChem CID 163433155) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
PubChem CID163433155
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
SMILESCCCCCCN(CCCCCC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC)c(O)c1
InChIInChI=1S/C25H36N4O4/c1-4-6-8-10-16-28(17-11-9-7-5-2)20-12-14-22(24(30)18-20)26-27-23-15-13-21(29(31)32)19-25(23)33-3/h12-15,18-19,30H,4-11,16-17H2,1-3H3/b27-26+
InChIKeyNKCXMHMWYDUCMY-CYYJNZCTSA-N
XLogP7.69
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
2-[N-dodecyl-4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl 2,2-dimethylpropanoate
CID 135225068
3-[3-hydroxy-4-[(4-nitrophenyl)diazenyl]-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid
CID 136882825
4-[4-(3-carboxylatopropoxy)-5-[[4-(dioctylamino)-2-methylphenyl]diazenyl]-2-[(4-nitrophenyl)diazenyl]phenoxy]butanoate
CID 131741528
2-[[4-(diethylamino)-2-methoxyphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
CID 20605739
2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 161047910
2-[N-decyl-4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-dodecyl 5-O-[2-[N-ethyl-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl] 2-ethyl-2,4,4-trimethylpentanedioate;1-O-[2-[N-ethyl-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 161234978
2-[N-butyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol;ethane
CID 145172306
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
2-[N-(2-acetyloxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate;isocyanic acid
CID 159643523

Frequently Asked Questions

What is the IUPAC name of 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol (CID 163433155) is 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol is CCCCCCN(CCCCCC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC)c(O)c1.
What is the InChIKey of 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol?
The InChIKey is NKCXMHMWYDUCMY-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-4-6-8-10-16-28(17-11-9-7-5-2)20-12-14-22(24(30)18-20)26-27-23-15-13-21(29(31)32)19-25(23)33-3/h12-15,18-19,30H,4-11,16-17H2,1-3H3/b27-26+.
What are the key properties of 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol?
5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol has a molecular weight of 456.59 g/mol, XLogP of 7.69, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 163433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).