8-methoxy-2-oxo-N-phenylchromene-3-carboxamide

C17H13NO4 — CID 754821

IUPAC8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
InChIInChI=1S/C17H13NO4/c1-21-14-9-5-6-11-10-13(17(20)22-15(11)14)16(19)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19)
InChIKeyBAWGJERTTNYKTJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.05
Rot. Bonds3

About 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide

8-methoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 754821) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID754821
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
InChIInChI=1S/C17H13NO4/c1-21-14-9-5-6-11-10-13(17(20)22-15(11)14)16(19)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19)
InChIKeyBAWGJERTTNYKTJ-UHFFFAOYSA-N
XLogP3.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 754821) is 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is BAWGJERTTNYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-14-9-5-6-11-10-13(17(20)22-15(11)14)16(19)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19).
What are the key properties of 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
8-methoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 754821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).