2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C18H17N3O3 — CID 686521

IUPAC2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)24-11-16(22)20-21-17-14-5-3-4-6-15(14)19-18(17)23/h3-10,19,23H,2,11H2,1H3/b21-20+
InChIKeyJDQNXELDFUXEHW-QZQOTICOSA-N
MW323.35 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 686521) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID686521
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)24-11-16(22)20-21-17-14-5-3-4-6-15(14)19-18(17)23/h3-10,19,23H,2,11H2,1H3/b21-20+
InChIKeyJDQNXELDFUXEHW-QZQOTICOSA-N
XLogP4.13
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 686521) is 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is JDQNXELDFUXEHW-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)24-11-16(22)20-21-17-14-5-3-4-6-15(14)19-18(17)23/h3-10,19,23H,2,11H2,1H3/b21-20+.
What are the key properties of 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 686521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).