N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide

C18H15NO5 — CID 127041423

IUPACN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C18H15NO5/c1-22-13-8-6-12(7-9-13)19-17(20)11-23-16-10-18(21)24-15-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLXLZUUWZVQFOIB-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.82
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide

N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide (PubChem CID 127041423) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide
PubChem CID127041423
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C18H15NO5/c1-22-13-8-6-12(7-9-13)19-17(20)11-23-16-10-18(21)24-15-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLXLZUUWZVQFOIB-UHFFFAOYSA-N
XLogP2.82
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-oxochromen-4-yl)oxyacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide (CID 127041423) is N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide is COc1ccc(NC(=O)COc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide?
The InChIKey is LXLZUUWZVQFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-8-6-12(7-9-13)19-17(20)11-23-16-10-18(21)24-15-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide?
N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide has a molecular weight of 325.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxyacetamide is sourced from PubChem (CID 127041423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).