N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline

C19H22N4O3 — CID 102365331

IUPACN-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
SMILESC=CCOCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-3-14-26-15-13-22(4-2)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(24)25/h3,5-12H,1,4,13-15H2,2H3/b21-20+
InChIKeyCMBVWPPLXAIZDT-QZQOTICOSA-N
MW354.41 g/mol
LogP5.04
Rot. Bonds10

About N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline

N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline (PubChem CID 102365331) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
PubChem CID102365331
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
SMILESC=CCOCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-3-14-26-15-13-22(4-2)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(24)25/h3,5-12H,1,4,13-15H2,2H3/b21-20+
InChIKeyCMBVWPPLXAIZDT-QZQOTICOSA-N
XLogP5.04
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
CID 10913969
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethyl 2-methylprop-2-enoate
CID 19702674
N-ethyl-N-[2-[1-[2-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]-4-[(4-nitrophenyl)diazenyl]aniline
CID 102574187
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
CID 19702708
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
5-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]-2-methylidenepentanoic acid
CID 18927821
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trifluoroethyl)aniline
CID 71367494
methyl 2-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethylamino]acetate
CID 11069071
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl anthracene-9-carboxylate
CID 90992353
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl trifluoromethanesulfonate
CID 134222535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline?
The IUPAC name of N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline (CID 102365331) is N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline.
What is the SMILES notation for N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline?
The canonical SMILES for N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline is C=CCOCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline?
The InChIKey is CMBVWPPLXAIZDT-QZQOTICOSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-14-26-15-13-22(4-2)18-9-5-16(6-10-18)20-21-17-7-11-19(12-8-17)23(24)25/h3,5-12H,1,4,13-15H2,2H3/b21-20+.
What are the key properties of N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline?
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline has a molecular weight of 354.41 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline is sourced from PubChem (CID 102365331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).