N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide

C17H14N2O3 — CID 87668986

IUPACN-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
SMILESCOc1ccc2cc(-c3ccccc3)c(NC(=O)C=O)n2c1
InChIInChI=1S/C17H14N2O3/c1-22-14-8-7-13-9-15(12-5-3-2-4-6-12)17(19(13)10-14)18-16(21)11-20/h2-11H,1H3,(H,18,21)
InChIKeyPTNVJRFHYRROJY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.75
Rot. Bonds4

About N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide

N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide (PubChem CID 87668986) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
PubChem CID87668986
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
SMILESCOc1ccc2cc(-c3ccccc3)c(NC(=O)C=O)n2c1
InChIInChI=1S/C17H14N2O3/c1-22-14-8-7-13-9-15(12-5-3-2-4-6-12)17(19(13)10-14)18-16(21)11-20/h2-11H,1H3,(H,18,21)
InChIKeyPTNVJRFHYRROJY-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?
The IUPAC name of N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide (CID 87668986) is N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide is COc1ccc2cc(-c3ccccc3)c(NC(=O)C=O)n2c1.
What is the InChIKey of N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?
The InChIKey is PTNVJRFHYRROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-14-8-7-13-9-15(12-5-3-2-4-6-12)17(19(13)10-14)18-16(21)11-20/h2-11H,1H3,(H,18,21).
What are the key properties of N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?
N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 87668986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).