2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide

C21H21NO5 — CID 7699613

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(OC)cc3)ccc12
InChIInChI=1S/C21H21NO5/c1-3-15-10-21(24)27-19-11-17(8-9-18(15)19)26-13-20(23)22-12-14-4-6-16(25-2)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFNHRJIZGZWGIJZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.06
Rot. Bonds7

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 7699613) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID7699613
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(OC)cc3)ccc12
InChIInChI=1S/C21H21NO5/c1-3-15-10-21(24)27-19-11-17(8-9-18(15)19)26-13-20(23)22-12-14-4-6-16(25-2)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFNHRJIZGZWGIJZ-UHFFFAOYSA-N
XLogP3.06
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylbutyl)acetamide
CID 7699702
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide (CID 7699613) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide is CCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(OC)cc3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FNHRJIZGZWGIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-15-10-21(24)27-19-11-17(8-9-18(15)19)26-13-20(23)22-12-14-4-6-16(25-2)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7699613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).