4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide

C19H19N3O3 — CID 135577272

IUPAC4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCOc1ccc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-3-22-16-8-6-5-7-15(16)17(19(22)24)20-21-18(23)13-9-11-14(12-10-13)25-4-2/h5-12,24H,3-4H2,1-2H3/b21-20+
InChIKeyRKTNILUDUBIORG-QZQOTICOSA-N
MW337.38 g/mol
LogP4.69
Rot. Bonds5

About 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide

4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 135577272) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID135577272
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCOc1ccc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-3-22-16-8-6-5-7-15(16)17(19(22)24)20-21-18(23)13-9-11-14(12-10-13)25-4-2/h5-12,24H,3-4H2,1-2H3/b21-20+
InChIKeyRKTNILUDUBIORG-QZQOTICOSA-N
XLogP4.69
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide (CID 135577272) is 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide is CCOc1ccc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is RKTNILUDUBIORG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-22-16-8-6-5-7-15(16)17(19(22)24)20-21-18(23)13-9-11-14(12-10-13)25-4-2/h5-12,24H,3-4H2,1-2H3/b21-20+.
What are the key properties of 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 135577272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).