2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol

C19H24N4O3 — CID 19819197

IUPAC2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
SMILESCCCCN(c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(C)CO
InChIInChI=1S/C19H24N4O3/c1-3-4-13-22(15(2)14-24)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(25)26/h5-12,15,24H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyRUSHKGJNGOPPSG-QZQOTICOSA-N
MW356.43 g/mol
LogP5.00
Rot. Bonds9

About 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol

2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol (PubChem CID 19819197) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol.

Molecular Properties

Compound Name2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
PubChem CID19819197
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
SMILESCCCCN(c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(C)CO
InChIInChI=1S/C19H24N4O3/c1-3-4-13-22(15(2)14-24)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(25)26/h5-12,15,24H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyRUSHKGJNGOPPSG-QZQOTICOSA-N
XLogP5.00
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 88568422
2-[N-hexyl-4-[(4-nitrophenyl)diazenyl]anilino]butan-1-ol
CID 19819187
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 71438380
N'-butan-2-yl-N'-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]propane-1,3-diamine
CID 89180615
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819208
N-hexyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 90473394
(4-butylsulfanylphenyl)-(4-nitrophenyl)diazene
CID 134880152
5-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]-2-methylidenepentanoic acid
CID 18927821
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The IUPAC name of 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol (CID 19819197) is 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol.
What is the SMILES notation for 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The canonical SMILES for 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol is CCCCN(c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)C(C)CO.
What is the InChIKey of 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The InChIKey is RUSHKGJNGOPPSG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-4-13-22(15(2)14-24)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(25)26/h5-12,15,24H,3-4,13-14H2,1-2H3/b21-20+.
What are the key properties of 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol is sourced from PubChem (CID 19819197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).