2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C12H13N3O3 — CID 135802167

IUPAC2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H13N3O3/c1-2-18-7-10(16)14-15-11-8-5-3-4-6-9(8)13-12(11)17/h3-6,13,17H,2,7H2,1H3/b15-14+
InChIKeyZRVZPGZUDNYVPO-CCEZHUSRSA-N
MW247.25 g/mol
LogP2.52
Rot. Bonds4

About 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135802167) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135802167
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C12H13N3O3/c1-2-18-7-10(16)14-15-11-8-5-3-4-6-9(8)13-12(11)17/h3-6,13,17H,2,7H2,1H3/b15-14+
InChIKeyZRVZPGZUDNYVPO-CCEZHUSRSA-N
XLogP2.52
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.52
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

2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
CID 135576558
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
CID 3070816
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135802167) is 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCOCC(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is ZRVZPGZUDNYVPO-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-7-10(16)14-15-11-8-5-3-4-6-9(8)13-12(11)17/h3-6,13,17H,2,7H2,1H3/b15-14+.
What are the key properties of 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 247.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135802167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).