N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide

C19H19N3O3 — CID 4500546

IUPACN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O3/c1-3-22-16-10-9-13(2)11-15(16)18(19(22)24)21-20-17(23)12-25-14-7-5-4-6-8-14/h4-11,24H,3,12H2,1-2H3/b21-20+
InChIKeyRJLAILFVQONCAP-QZQOTICOSA-N
MW337.38 g/mol
LogP4.36
Rot. Bonds5

About N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide

N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide (PubChem CID 4500546) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
PubChem CID4500546
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O3/c1-3-22-16-10-9-13(2)11-15(16)18(19(22)24)21-20-17(23)12-25-14-7-5-4-6-8-14/h4-11,24H,3,12H2,1-2H3/b21-20+
InChIKeyRJLAILFVQONCAP-QZQOTICOSA-N
XLogP4.36
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide (CID 4500546) is N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide is CCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(C)ccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide?
The InChIKey is RJLAILFVQONCAP-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-22-16-10-9-13(2)11-15(16)18(19(22)24)21-20-17(23)12-25-14-7-5-4-6-8-14/h4-11,24H,3,12H2,1-2H3/b21-20+.
What are the key properties of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide?
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide has a molecular weight of 337.38 g/mol, XLogP of 4.36, 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-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide is sourced from PubChem (CID 4500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).