N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide

C18H17N3O3 — CID 963929

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-2-21-15-11-7-6-10-14(15)17(18(21)23)20-19-16(22)12-24-13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+
InChIKeyOYBXAOQBJDHNRT-FMQUCBEESA-N
MW323.35 g/mol
LogP4.06
Rot. Bonds5

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide (PubChem CID 963929) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
PubChem CID963929
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-2-21-15-11-7-6-10-14(15)17(18(21)23)20-19-16(22)12-24-13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+
InChIKeyOYBXAOQBJDHNRT-FMQUCBEESA-N
XLogP4.06
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 3411635
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide (CID 963929) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide is CCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide?
The InChIKey is OYBXAOQBJDHNRT-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-21-15-11-7-6-10-14(15)17(18(21)23)20-19-16(22)12-24-13-8-4-3-5-9-13/h3-11,23H,2,12H2,1H3/b20-19+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide is sourced from PubChem (CID 963929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).