2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

C18H15NO5 — CID 906607

IUPAC2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccccc1-c1coc2cc(OCC(N)=O)ccc2c1=O
InChIInChI=1S/C18H15NO5/c1-22-15-5-3-2-4-12(15)14-9-24-16-8-11(23-10-17(19)20)6-7-13(16)18(14)21/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyPYRBJGOZEAYPMT-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 906607) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
PubChem CID906607
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccccc1-c1coc2cc(OCC(N)=O)ccc2c1=O
InChIInChI=1S/C18H15NO5/c1-22-15-5-3-2-4-12(15)14-9-24-16-8-11(23-10-17(19)20)6-7-13(16)18(14)21/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyPYRBJGOZEAYPMT-UHFFFAOYSA-N
XLogP2.33
TPSA91.76 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 4672101
benzyl 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 1182909
3-(2-methoxyphenyl)-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]chromen-4-one
CID 2038118
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 2001934
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
methyl 3-[[3-[4-(2-amino-2-oxoethoxy)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoate
CID 42606143
3-(2-methoxyphenyl)-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 889835
sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
CID 23704767
[3-(2-methoxyphenyl)-4-oxochromen-7-yl] 5-acetyloxy-2-methyl-1-benzofuran-3-carboxylate
CID 1332781
2-[[3-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91637457
[3-(2-methoxyphenyl)-4-oxochromen-7-yl] 2-methyl-3-nitrobenzoate
CID 23937048
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (CID 906607) is 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is COc1ccccc1-c1coc2cc(OCC(N)=O)ccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is PYRBJGOZEAYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-15-5-3-2-4-12(15)14-9-24-16-8-11(23-10-17(19)20)6-7-13(16)18(14)21/h2-9H,10H2,1H3,(H2,19,20).
What are the key properties of 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 325.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 906607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).