2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide

C20H18N4O3 — CID 135838548

IUPAC2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccc(C#N)cc2)c2cc(C)ccc21
InChIInChI=1S/C20H18N4O3/c1-3-24-17-9-4-13(2)10-16(17)19(20(24)26)23-22-18(25)12-27-15-7-5-14(11-21)6-8-15/h4-10,26H,3,12H2,1-2H3/b23-22+
InChIKeyQBZRAWYKSVEXRI-GHVJWSGMSA-N
MW362.39 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide

2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide (PubChem CID 135838548) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
PubChem CID135838548
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccc(C#N)cc2)c2cc(C)ccc21
InChIInChI=1S/C20H18N4O3/c1-3-24-17-9-4-13(2)10-16(17)19(20(24)26)23-22-18(25)12-27-15-7-5-14(11-21)6-8-15/h4-10,26H,3,12H2,1-2H3/b23-22+
InChIKeyQBZRAWYKSVEXRI-GHVJWSGMSA-N
XLogP4.24
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.24
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'}

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Related Compounds

N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
CID 4503166
2-(4-chlorophenoxy)-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminoacetamide
CID 4503165
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 3411635
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide (CID 135838548) is 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide is CCn1c(O)c(/N=N/C(=O)COc2ccc(C#N)cc2)c2cc(C)ccc21.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide?
The InChIKey is QBZRAWYKSVEXRI-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-24-17-9-4-13(2)10-16(17)19(20(24)26)23-22-18(25)12-27-15-7-5-14(11-21)6-8-15/h4-10,26H,3,12H2,1-2H3/b23-22+.
What are the key properties of 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide?
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide has a molecular weight of 362.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 135838548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).