2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H15NO5 — CID 904808

IUPAC2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2c(C(=O)c3ccccc3)c(OCC(N)=O)ccc12
InChIInChI=1S/C19H15NO5/c1-11-9-16(22)25-19-13(11)7-8-14(24-10-15(20)21)17(19)18(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyNCUYYXGIDHZMOU-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.20
Rot. Bonds5

About 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 904808) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID904808
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2c(C(=O)c3ccccc3)c(OCC(N)=O)ccc12
InChIInChI=1S/C19H15NO5/c1-11-9-16(22)25-19-13(11)7-8-14(24-10-15(20)21)17(19)18(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyNCUYYXGIDHZMOU-UHFFFAOYSA-N
XLogP2.20
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.20
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-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 904808) is 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(OCC(N)=O)ccc12.
What is the InChIKey of 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NCUYYXGIDHZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11-9-16(22)25-19-13(11)7-8-14(24-10-15(20)21)17(19)18(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,21).
What are the key properties of 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 337.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 904808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).