diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium

C19H29N4O2+ — CID 135739771

IUPACdiethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)18(19(23)25)21-20-17(24)13-14(3)4/h7-10,14,25H,5-6,11-13H2,1-4H3/p+1/b21-20+
InChIKeyAATZRNHKSSNUDF-QZQOTICOSA-O
MW345.47 g/mol
LogP2.93
Rot. Bonds8

About diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium

diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium (PubChem CID 135739771) has the molecular formula C19H29N4O2+ and a molecular weight of 345.47 g/mol. Its IUPAC name is diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
PubChem CID135739771
Molecular FormulaC19H29N4O2+
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Namediethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O2/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)18(19(23)25)21-20-17(24)13-14(3)4/h7-10,14,25H,5-6,11-13H2,1-4H3/p+1/b21-20+
InChIKeyAATZRNHKSSNUDF-QZQOTICOSA-O
XLogP2.93
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
2-[3-[[(3S)-1,1-dioxothiolane-3-carbonyl]diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135817887
2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135734559
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
2-(benzotriazol-1-yl)-N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminoacetamide
CID 135846272
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium (CID 135739771) is diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium is CC[NH+](CC)CCn1c(O)c(/N=N/C(=O)CC(C)C)c2ccccc21.
What is the InChIKey of diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium?
The InChIKey is AATZRNHKSSNUDF-QZQOTICOSA-O. The full InChI is InChI=1S/C19H28N4O2/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)18(19(23)25)21-20-17(24)13-14(3)4/h7-10,14,25H,5-6,11-13H2,1-4H3/p+1/b21-20+.
What are the key properties of diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium?
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium has a molecular weight of 345.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium is sourced from PubChem (CID 135739771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).