2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide

C18H15NO5 — CID 62707255

IUPAC2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
SMILESCOc1cc2ccc(=O)oc2cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H15NO5/c1-22-15-9-12-7-8-18(21)24-14(12)10-16(15)23-11-17(20)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFGSQINRATVXYTM-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.82
Rot. Bonds5

About 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide

2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide (PubChem CID 62707255) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
PubChem CID62707255
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
SMILESCOc1cc2ccc(=O)oc2cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H15NO5/c1-22-15-9-12-7-8-18(21)24-14(12)10-16(15)23-11-17(20)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFGSQINRATVXYTM-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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Related Compounds

6,7-dimethoxychromen-2-one
CID 159563577
4-(7-methoxy-2-oxochromen-6-yl)oxybutanoic acid
CID 54430844
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 19621791
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 62705146
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
CID 40617668
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide (CID 62707255) is 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide is COc1cc2ccc(=O)oc2cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide?
The InChIKey is FGSQINRATVXYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-15-9-12-7-8-18(21)24-14(12)10-16(15)23-11-17(20)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide?
2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide 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-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 62707255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).