2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide

C20H21N3O3 — CID 135883396

IUPAC2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
SMILESCCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)c(C)ccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-4-14-6-8-15(9-7-14)26-11-17(24)22-23-19-16-10-5-12(2)13(3)18(16)21-20(19)25/h5-10,21,25H,4,11H2,1-3H3/b23-22+
InChIKeyADEGLSUJAZATEL-GHVJWSGMSA-N
MW351.41 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide

2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide (PubChem CID 135883396) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
PubChem CID135883396
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
SMILESCCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)c(C)ccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-4-14-6-8-15(9-7-14)26-11-17(24)22-23-19-16-10-5-12(2)13(3)18(16)21-20(19)25/h5-10,21,25H,4,11H2,1-3H3/b23-22+
InChIKeyADEGLSUJAZATEL-GHVJWSGMSA-N
XLogP4.74
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.74
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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Related Compounds

2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
CID 3561394
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(4-nitrophenoxy)acetamide
CID 3480340
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[4-[(4-methoxyphenyl)carbamoylamino]phenoxy]acetamide
CID 172638818
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide (CID 135883396) is 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide is CCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)c(C)ccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The InChIKey is ADEGLSUJAZATEL-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-14-6-8-15(9-7-14)26-11-17(24)22-23-19-16-10-5-12(2)13(3)18(16)21-20(19)25/h5-10,21,25H,4,11H2,1-3H3/b23-22+.
What are the key properties of 2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide?
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide has a molecular weight of 351.41 g/mol, XLogP of 4.74, 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-6,7-dimethyl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135883396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).