2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide

C18H15NO5 — CID 943146

IUPAC2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H15NO5/c1-22-14-4-6-15(7-5-14)23-11-17(20)19-13-3-8-16-12(10-13)2-9-18(21)24-16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyNGFWQKXBUBFPSB-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide

2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 943146) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide
PubChem CID943146
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C18H15NO5/c1-22-14-4-6-15(7-5-14)23-11-17(20)19-13-3-8-16-12(10-13)2-9-18(21)24-16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyNGFWQKXBUBFPSB-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 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide (CID 943146) is 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide is COc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is NGFWQKXBUBFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-14-4-6-15(7-5-14)23-11-17(20)19-13-3-8-16-12(10-13)2-9-18(21)24-16/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide?
2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide 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 2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 943146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).