2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

C23H25N5O5 — CID 135537775

IUPAC2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C23H25N5O5/c1-16(29)24-17-6-8-18(9-7-17)33-14-21(30)25-26-22-19-4-2-3-5-20(19)28(23(22)31)15-27-10-12-32-13-11-27/h2-9,31H,10-15H2,1H3,(H,24,29)/b26-25+
InChIKeyZVQLZWSCHKZENJ-OCEACIFDSA-N
MW451.48 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide (PubChem CID 135537775) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
PubChem CID135537775
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C23H25N5O5/c1-16(29)24-17-6-8-18(9-7-17)33-14-21(30)25-26-22-19-4-2-3-5-20(19)28(23(22)31)15-27-10-12-32-13-11-27/h2-9,31H,10-15H2,1H3,(H,24,29)/b26-25+
InChIKeyZVQLZWSCHKZENJ-OCEACIFDSA-N
XLogP3.28
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide (CID 135537775) is 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide is CC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
The InChIKey is ZVQLZWSCHKZENJ-OCEACIFDSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-16(29)24-17-6-8-18(9-7-17)33-14-21(30)25-26-22-19-4-2-3-5-20(19)28(23(22)31)15-27-10-12-32-13-11-27/h2-9,31H,10-15H2,1H3,(H,24,29)/b26-25+.
What are the key properties of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide?
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide has a molecular weight of 451.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide is sourced from PubChem (CID 135537775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).