N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide

C20H24N4O3 — CID 71438380

IUPACN-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-5-15-23(14-4-2)20(25)16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)24(26)27/h6-13H,3-5,14-15H2,1-2H3/b22-21+
InChIKeyIISLILCIGLPVAG-QURGRASLSA-N
MW368.44 g/mol
LogP5.66
Rot. Bonds9

About N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide

N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide (PubChem CID 71438380) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
PubChem CID71438380
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-5-15-23(14-4-2)20(25)16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)24(26)27/h6-13H,3-5,14-15H2,1-2H3/b22-21+
InChIKeyIISLILCIGLPVAG-QURGRASLSA-N
XLogP5.66
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-hexyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 90473394
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
N-ethyl-N-heptyl-4-nitrobenzamide
CID 91721036
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propylbenzamide
CID 91635629
4-amino-N-butyl-N-propylbenzamide
CID 127119640
2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819197
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282
N,N-dibutyl-4-fluoro-3-nitrobenzamide
CID 43244139
4-bromo-N,N-dibutyl-3-nitrobenzamide
CID 43244140

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide?
The IUPAC name of N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide (CID 71438380) is N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide.
What is the SMILES notation for N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide?
The canonical SMILES for N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide is CCCCN(CCC)C(=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide?
The InChIKey is IISLILCIGLPVAG-QURGRASLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-5-15-23(14-4-2)20(25)16-6-8-17(9-7-16)21-22-18-10-12-19(13-11-18)24(26)27/h6-13H,3-5,14-15H2,1-2H3/b22-21+.
What are the key properties of N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide?
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide is sourced from PubChem (CID 71438380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).