N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide

C26H19N3O5 — CID 137179332

IUPACN-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H19N3O5/c30-23(16-33-19-12-10-18-11-13-24(31)34-22(18)14-19)27-28-25-20-8-4-5-9-21(20)29(26(25)32)15-17-6-2-1-3-7-17/h1-14,32H,15-16H2/b28-27+
InChIKeyFCDHTSTVXWEZOD-BYYHNAKLSA-N
MW453.45 g/mol
LogP5.19
Rot. Bonds6

About N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide

N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179332) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179332
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H19N3O5/c30-23(16-33-19-12-10-18-11-13-24(31)34-22(18)14-19)27-28-25-20-8-4-5-9-21(20)29(26(25)32)15-17-6-2-1-3-7-17/h1-14,32H,15-16H2/b28-27+
InChIKeyFCDHTSTVXWEZOD-BYYHNAKLSA-N
XLogP5.19
TPSA106.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179332) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FCDHTSTVXWEZOD-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H19N3O5/c30-23(16-33-19-12-10-18-11-13-24(31)34-22(18)14-19)27-28-25-20-8-4-5-9-21(20)29(26(25)32)15-17-6-2-1-3-7-17/h1-14,32H,15-16H2/b28-27+.
What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 453.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).