2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol

C17H18N4O3 — CID 19702708

IUPAC2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
SMILESC=CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-2-11-20(12-13-22)16-7-3-14(4-8-16)18-19-15-5-9-17(10-6-15)21(23)24/h2-10,22H,1,11-13H2/b19-18+
InChIKeyFIHKFIXODLGBQJ-VHEBQXMUSA-N
MW326.36 g/mol
LogP3.99
Rot. Bonds8

About 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol

2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol (PubChem CID 19702708) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
PubChem CID19702708
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
SMILESC=CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-2-11-20(12-13-22)16-7-3-14(4-8-16)18-19-15-5-9-17(10-6-15)21(23)24/h2-10,22H,1,11-13H2/b19-18+
InChIKeyFIHKFIXODLGBQJ-VHEBQXMUSA-N
XLogP3.99
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethyl 2-methylprop-2-enoate
CID 19702674
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol;2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 158565238
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
CID 102365331
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969
2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 88568422
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-nitrosoethyl)anilino]ethanol
CID 90378459
2-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
CID 141406177
N-[2-[N-(2-acetamidoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl]acetamide
CID 101391928
4-nitro-N-prop-2-enyl-N-[4-(1-prop-2-enylpyrrolidin-1-ium-1-yl)butyl]aniline
CID 23241112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol?
The IUPAC name of 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol (CID 19702708) is 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol.
What is the SMILES notation for 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol?
The canonical SMILES for 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol is C=CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol?
The InChIKey is FIHKFIXODLGBQJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-11-20(12-13-22)16-7-3-14(4-8-16)18-19-15-5-9-17(10-6-15)21(23)24/h2-10,22H,1,11-13H2/b19-18+.
What are the key properties of 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol?
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol has a molecular weight of 326.36 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol is sourced from PubChem (CID 19702708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).