2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide

C20H18N4O3 — CID 135436304

IUPAC2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C20H18N4O3/c1-24(2)16(25)11-27-23-18-13-8-4-6-10-15(13)21-19(18)17-12-7-3-5-9-14(12)22-20(17)26/h3-10,22,26H,11H2,1-2H3/b23-18+
InChIKeyZENOCHLMXUONHM-PTGBLXJZSA-N
MW362.39 g/mol
LogP2.82
Rot. Bonds4

About 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide

2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide (PubChem CID 135436304) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide
PubChem CID135436304
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21
InChIInChI=1S/C20H18N4O3/c1-24(2)16(25)11-27-23-18-13-8-4-6-10-15(13)21-19(18)17-12-7-3-5-9-14(12)22-20(17)26/h3-10,22,26H,11H2,1-2H3/b23-18+
InChIKeyZENOCHLMXUONHM-PTGBLXJZSA-N
XLogP2.82
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-[[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethanone
CID 169132941
3-[(3E)-3-[2-(piperidin-4-ylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;hydrochloride
CID 162670039
methyl 3-[(3E)-3-(2-bromoethoxyimino)indol-2-yl]-2-hydroxy-1H-indole-5-carboxylate
CID 142579235
tert-butyl 6-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 169132935
5-bromo-3-[(3E)-3-[2-[2-hydroxypropyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 172952138
(3R,4S,5R,6R)-2-[2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135544152
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-[[2-(5-chloro-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide
CID 174104439
5-bromo-3-[(3E)-3-[2-[methyl(3-methylbutyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136980960
1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[(E)-[2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethanone
CID 170658214
3-[(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropane-1,2-diol
CID 135897878
tert-butyl 6-[[2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 169132906
6-bromo-3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;dihydrochloride
CID 135897899

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide (CID 135436304) is 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide is CN(C)C(=O)CO/N=C1/C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21.
What is the InChIKey of 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide?
The InChIKey is ZENOCHLMXUONHM-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24(2)16(25)11-27-23-18-13-8-4-6-10-15(13)21-19(18)17-12-7-3-5-9-14(12)22-20(17)26/h3-10,22,26H,11H2,1-2H3/b23-18+.
What are the key properties of 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide?
2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide has a molecular weight of 362.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 135436304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).