N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide

C17H13NO4 — CID 745287

IUPACN-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO4/c1-21-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)22-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyUVIDYPCYACCLOZ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.05
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide

N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 745287) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID745287
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO4/c1-21-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)22-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyUVIDYPCYACCLOZ-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 N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide (CID 745287) is N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is UVIDYPCYACCLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)22-17(14)20/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide?
N-(4-methoxyphenyl)-2-oxochromene-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 N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 745287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).