N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide

C21H23N3O5 — CID 135710555

IUPACN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O5/c1-4-29-12-11-24-16-8-6-5-7-15(16)19(21(24)26)22-23-20(25)14-9-10-17(27-2)18(13-14)28-3/h5-10,13,26H,4,11-12H2,1-3H3/b23-22+
InChIKeyAXFVWMZMKKULNB-GHVJWSGMSA-N
MW397.43 g/mol
LogP4.32
Rot. Bonds8

About N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide

N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide (PubChem CID 135710555) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
PubChem CID135710555
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23N3O5/c1-4-29-12-11-24-16-8-6-5-7-15(16)19(21(24)26)22-23-20(25)14-9-10-17(27-2)18(13-14)28-3/h5-10,13,26H,4,11-12H2,1-3H3/b23-22+
InChIKeyAXFVWMZMKKULNB-GHVJWSGMSA-N
XLogP4.32
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 135577019
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
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide (CID 135710555) is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide is CCOCCn1c(O)c(/N=N/C(=O)c2ccc(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide?
The InChIKey is AXFVWMZMKKULNB-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-29-12-11-24-16-8-6-5-7-15(16)19(21(24)26)22-23-20(25)14-9-10-17(27-2)18(13-14)28-3/h5-10,13,26H,4,11-12H2,1-3H3/b23-22+.
What are the key properties of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide?
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide is sourced from PubChem (CID 135710555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).