N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide

C20H21N3O4 — CID 4504457

IUPACN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21
InChIInChI=1S/C20H21N3O4/c1-4-23-16-10-9-14(26-3)11-15(16)19(20(23)25)22-21-18(24)12-27-17-8-6-5-7-13(17)2/h5-11,25H,4,12H2,1-3H3/b22-21+
InChIKeyJYSAYGLDKDHOJB-QURGRASLSA-N
MW367.41 g/mol
LogP4.37
Rot. Bonds6

About N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide

N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide (PubChem CID 4504457) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
PubChem CID4504457
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21
InChIInChI=1S/C20H21N3O4/c1-4-23-16-10-9-14(26-3)11-15(16)19(20(23)25)22-21-18(24)12-27-17-8-6-5-7-13(17)2/h5-11,25H,4,12H2,1-3H3/b22-21+
InChIKeyJYSAYGLDKDHOJB-QURGRASLSA-N
XLogP4.37
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 4504996
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide (CID 4504457) is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide is CCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The InChIKey is JYSAYGLDKDHOJB-QURGRASLSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-23-16-10-9-14(26-3)11-15(16)19(20(23)25)22-21-18(24)12-27-17-8-6-5-7-13(17)2/h5-11,25H,4,12H2,1-3H3/b22-21+.
What are the key properties of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide has a molecular weight of 367.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 4504457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).