diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium

C19H28N5O3+ — CID 135575864

IUPACdiethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C19H27N5O3/c1-5-23(6-2)11-12-24-15-10-8-7-9-14(15)16(19(24)27)21-22-18(26)17(25)20-13(3)4/h7-10,13,27H,5-6,11-12H2,1-4H3,(H,20,25)/p+1/b22-21+
InChIKeyVQAFSHMNOJDMLR-QURGRASLSA-O
MW374.47 g/mol
LogP1.41
Rot. Bonds7

About diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium

diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium (PubChem CID 135575864) has the molecular formula C19H28N5O3+ and a molecular weight of 374.47 g/mol. Its IUPAC name is diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
PubChem CID135575864
Molecular FormulaC19H28N5O3+
Molecular Weight374.47 g/mol
Exact Mass374.22
IUPAC Namediethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C19H27N5O3/c1-5-23(6-2)11-12-24-15-10-8-7-9-14(15)16(19(24)27)21-22-18(26)17(25)20-13(3)4/h7-10,13,27H,5-6,11-12H2,1-4H3,(H,20,25)/p+1/b22-21+
InChIKeyVQAFSHMNOJDMLR-QURGRASLSA-O
XLogP1.41
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
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
2-[3-[[(3S)-1,1-dioxothiolane-3-carbonyl]diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135817887
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739
2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135734559
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
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-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium (CID 135575864) is diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium is CC[NH+](CC)CCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2ccccc21.
What is the InChIKey of diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium?
The InChIKey is VQAFSHMNOJDMLR-QURGRASLSA-O. The full InChI is InChI=1S/C19H27N5O3/c1-5-23(6-2)11-12-24-15-10-8-7-9-14(15)16(19(24)27)21-22-18(26)17(25)20-13(3)4/h7-10,13,27H,5-6,11-12H2,1-4H3,(H,20,25)/p+1/b22-21+.
What are the key properties of diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium?
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium has a molecular weight of 374.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium is sourced from PubChem (CID 135575864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).