N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide

C20H21N3O3 — CID 135426572

IUPACN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2ccccc2C)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-3-26-13-12-23-17-11-7-6-10-16(17)18(20(23)25)21-22-19(24)15-9-5-4-8-14(15)2/h4-11,25H,3,12-13H2,1-2H3/b22-21+
InChIKeyBIPCRXVQUPQFLE-QURGRASLSA-N
MW351.41 g/mol
LogP4.62
Rot. Bonds6

About N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide

N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide (PubChem CID 135426572) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
PubChem CID135426572
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2ccccc2C)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-3-26-13-12-23-17-11-7-6-10-16(17)18(20(23)25)21-22-19(24)15-9-5-4-8-14(15)2/h4-11,25H,3,12-13H2,1-2H3/b22-21+
InChIKeyBIPCRXVQUPQFLE-QURGRASLSA-N
XLogP4.62
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 135577019
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-(2-oxo-1-pyridinyl)acetamide
CID 135702543
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide?
The IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide (CID 135426572) is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide?
The canonical SMILES for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide is CCOCCn1c(O)c(/N=N/C(=O)c2ccccc2C)c2ccccc21.
What is the InChIKey of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide?
The InChIKey is BIPCRXVQUPQFLE-QURGRASLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-13-12-23-17-11-7-6-10-16(17)18(20(23)25)21-22-19(24)15-9-5-4-8-14(15)2/h4-11,25H,3,12-13H2,1-2H3/b22-21+.
What are the key properties of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide?
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide is sourced from PubChem (CID 135426572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).