N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide

C19H20N4O3 — CID 3605087

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-23-15-10-6-4-8-13(15)18(19(23)25)22-21-17(24)12-20-14-9-5-7-11-16(14)26-2/h4-11,20,25H,3,12H2,1-2H3/b22-21+
InChIKeyUFJCZOGEKYRENL-QURGRASLSA-N
MW352.39 g/mol
LogP4.10
Rot. Bonds6

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide (PubChem CID 3605087) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
PubChem CID3605087
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-23-15-10-6-4-8-13(15)18(19(23)25)22-21-17(24)12-20-14-9-5-7-11-16(14)26-2/h4-11,20,25H,3,12H2,1-2H3/b22-21+
InChIKeyUFJCZOGEKYRENL-QURGRASLSA-N
XLogP4.10
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide (CID 3605087) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide is CCn1c(O)c(/N=N/C(=O)CNc2ccccc2OC)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide?
The InChIKey is UFJCZOGEKYRENL-QURGRASLSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-23-15-10-6-4-8-13(15)18(19(23)25)22-21-17(24)12-20-14-9-5-7-11-16(14)26-2/h4-11,20,25H,3,12H2,1-2H3/b22-21+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide has a molecular weight of 352.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 3605087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).