2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide

C19H19N3O3 — CID 6907176

IUPAC2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide
SMILESCCCN1C(=O)/C(=N\OCC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-12-22-16-11-7-6-10-15(16)18(19(22)24)21-25-13-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)/b21-18-
InChIKeyRWNDUHIHBQPNKU-UZYVYHOESA-N
MW337.38 g/mol
LogP2.80
Rot. Bonds6

About 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide

2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide (PubChem CID 6907176) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide
PubChem CID6907176
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide
SMILESCCCN1C(=O)/C(=N\OCC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-12-22-16-11-7-6-10-15(16)18(19(22)24)21-25-13-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)/b21-18-
InChIKeyRWNDUHIHBQPNKU-UZYVYHOESA-N
XLogP2.80
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide (CID 6907176) is 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide is CCCN1C(=O)/C(=N\OCC(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide?
The InChIKey is RWNDUHIHBQPNKU-UZYVYHOESA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-12-22-16-11-7-6-10-15(16)18(19(22)24)21-25-13-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)/b21-18-.
What are the key properties of 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide?
2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]oxy-N-phenylacetamide is sourced from PubChem (CID 6907176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).