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

C20H22N4O3 — CID 166435290

IUPACN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNc2cccc(OC)c2)c2cc(C)ccc21
InChIInChI=1S/C20H22N4O3/c1-4-24-17-9-8-13(2)10-16(17)19(20(24)26)23-22-18(25)12-21-14-6-5-7-15(11-14)27-3/h5-11,21,26H,4,12H2,1-3H3/b23-22+
InChIKeySNAWLGZSRVGKCG-GHVJWSGMSA-N
MW366.42 g/mol
LogP4.41
Rot. Bonds6

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

N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide (PubChem CID 166435290) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
PubChem CID166435290
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNc2cccc(OC)c2)c2cc(C)ccc21
InChIInChI=1S/C20H22N4O3/c1-4-24-17-9-8-13(2)10-16(17)19(20(24)26)23-22-18(25)12-21-14-6-5-7-15(11-14)27-3/h5-11,21,26H,4,12H2,1-3H3/b23-22+
InChIKeySNAWLGZSRVGKCG-GHVJWSGMSA-N
XLogP4.41
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
CID 135725912
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
CID 3605087
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
1-[1-ethyl-2-hydroxy-5-(trifluoromethyl)indol-3-yl]imino-3-(3-methoxyphenyl)thiourea
CID 156828530
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
CID 4503166
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
CID 135747864
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide (CID 166435290) is N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide is CCn1c(O)c(/N=N/C(=O)CNc2cccc(OC)c2)c2cc(C)ccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide?
The InChIKey is SNAWLGZSRVGKCG-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-24-17-9-8-13(2)10-16(17)19(20(24)26)23-22-18(25)12-21-14-6-5-7-15(11-14)27-3/h5-11,21,26H,4,12H2,1-3H3/b23-22+.
What are the key properties of N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide?
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide has a molecular weight of 366.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 166435290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).