N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

C21H21NO4 — CID 7699405

IUPACN-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc12
InChIInChI=1S/C21H21NO4/c1-4-15-10-21(24)26-19-11-17(7-8-18(15)19)25-12-20(23)22-16-6-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeySSXGSHRFKZEUEL-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.99
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 7699405) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID7699405
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc12
InChIInChI=1S/C21H21NO4/c1-4-15-10-21(24)26-19-11-17(7-8-18(15)19)25-12-20(23)22-16-6-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeySSXGSHRFKZEUEL-UHFFFAOYSA-N
XLogP3.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.99
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-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (CID 7699405) is N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc12.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SSXGSHRFKZEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-4-15-10-21(24)26-19-11-17(7-8-18(15)19)25-12-20(23)22-16-6-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 7699405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).