N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide

C20H19NO4 — CID 906216

IUPACN-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
SMILESCCc1cccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)c1
InChIInChI=1S/C20H19NO4/c1-3-14-5-4-6-15(10-14)21-19(22)12-24-16-7-8-18-17(11-16)13(2)9-20(23)25-18/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyOHERNRLSZFXDGR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.68
Rot. Bonds5

About N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide

N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide (PubChem CID 906216) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
PubChem CID906216
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
SMILESCCc1cccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)c1
InChIInChI=1S/C20H19NO4/c1-3-14-5-4-6-15(10-14)21-19(22)12-24-16-7-8-18-17(11-16)13(2)9-20(23)25-18/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyOHERNRLSZFXDGR-UHFFFAOYSA-N
XLogP3.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
CID 1329212
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide (CID 906216) is N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide is CCc1cccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The InChIKey is OHERNRLSZFXDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-14-5-4-6-15(10-14)21-19(22)12-24-16-7-8-18-17(11-16)13(2)9-20(23)25-18/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide is sourced from PubChem (CID 906216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).