N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide

C19H19N3O3 — CID 4504817

IUPACN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O3/c1-4-22-16-10-9-14(25-3)11-15(16)17(19(22)24)20-21-18(23)13-7-5-12(2)6-8-13/h5-11,24H,4H2,1-3H3/b21-20+
InChIKeyVSAFPASJCOKIPG-QZQOTICOSA-N
MW337.38 g/mol
LogP4.61
Rot. Bonds4

About N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide

N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide (PubChem CID 4504817) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
PubChem CID4504817
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O3/c1-4-22-16-10-9-14(25-3)11-15(16)17(19(22)24)20-21-18(23)13-7-5-12(2)6-8-13/h5-11,24H,4H2,1-3H3/b21-20+
InChIKeyVSAFPASJCOKIPG-QZQOTICOSA-N
XLogP4.61
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.61
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

N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
CID 4507272
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide (CID 4504817) is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide is CCn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2cc(OC)ccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide?
The InChIKey is VSAFPASJCOKIPG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-22-16-10-9-14(25-3)11-15(16)17(19(22)24)20-21-18(23)13-7-5-12(2)6-8-13/h5-11,24H,4H2,1-3H3/b21-20+.
What are the key properties of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide?
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide is sourced from PubChem (CID 4504817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).