2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide

C21H21NO4 — CID 7699638

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)COc2ccc3c(CC)cc(=O)oc3c2)c1
InChIInChI=1S/C21H21NO4/c1-3-14-6-5-7-16(10-14)22-20(23)13-25-17-8-9-18-15(4-2)11-21(24)26-19(18)12-17/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyRTZNDEPXPAROCO-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide (PubChem CID 7699638) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
PubChem CID7699638
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)COc2ccc3c(CC)cc(=O)oc3c2)c1
InChIInChI=1S/C21H21NO4/c1-3-14-6-5-7-16(10-14)22-20(23)13-25-17-8-9-18-15(4-2)11-21(24)26-19(18)12-17/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyRTZNDEPXPAROCO-UHFFFAOYSA-N
XLogP3.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.94
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

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide (CID 7699638) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)COc2ccc3c(CC)cc(=O)oc3c2)c1.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide?
The InChIKey is RTZNDEPXPAROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-14-6-5-7-16(10-14)22-20(23)13-25-17-8-9-18-15(4-2)11-21(24)26-19(18)12-17/h5-12H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 7699638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).