N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide

C19H18N4O3 — CID 135576558

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C19H18N4O3/c1-12-7-9-14(10-8-12)13(2)23-26-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-13+
InChIKeyGIIFPCBSEDQIBQ-XYHPYLCDSA-N
MW350.38 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide (PubChem CID 135576558) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
PubChem CID135576558
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C19H18N4O3/c1-12-7-9-14(10-8-12)13(2)23-26-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-13+
InChIKeyGIIFPCBSEDQIBQ-XYHPYLCDSA-N
XLogP4.23
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 137107408
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077873

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide (CID 135576558) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide is C/C(=N\OCC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide?
The InChIKey is GIIFPCBSEDQIBQ-XYHPYLCDSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-7-9-14(10-8-12)13(2)23-26-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-13+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide has a molecular weight of 350.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide is sourced from PubChem (CID 135576558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).